N'-[5-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]-2-pyridinyl]ethane-1,2-diamine

C24H30N4 — CID 86698387

IUPACN'-[5-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]-2-pyridinyl]ethane-1,2-diamine
SMILESC[C@@H](N[C@H]1CC[C@@H](c2ccc(NCCN)nc2)C1)c1cccc2ccccc12
InChIInChI=1S/C24H30N4/c1-17(22-8-4-6-18-5-2-3-7-23(18)22)28-21-11-9-19(15-21)20-10-12-24(27-16-20)26-14-13-25/h2-8,10,12,16-17,19,21,28H,9,11,13-15,25H2,1H3,(H,26,27)/t17-,19-,21+/m1/s1
InChIKeyANCYWXOXNVIYEG-QFUCXCTJSA-N
MW374.53 g/mol
LogP4.59
Rot. Bonds7

About N'-[5-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]-2-pyridinyl]ethane-1,2-diamine

N'-[5-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]-2-pyridinyl]ethane-1,2-diamine (PubChem CID 86698387) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is N'-[5-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]-2-pyridinyl]ethane-1,2-diamine
PubChem CID86698387
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC NameN'-[5-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]-2-pyridinyl]ethane-1,2-diamine
SMILESC[C@@H](N[C@H]1CC[C@@H](c2ccc(NCCN)nc2)C1)c1cccc2ccccc12
InChIInChI=1S/C24H30N4/c1-17(22-8-4-6-18-5-2-3-7-23(18)22)28-21-11-9-19(15-21)20-10-12-24(27-16-20)26-14-13-25/h2-8,10,12,16-17,19,21,28H,9,11,13-15,25H2,1H3,(H,26,27)/t17-,19-,21+/m1/s1
InChIKeyANCYWXOXNVIYEG-QFUCXCTJSA-N
XLogP4.59
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N'-[5-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]-2-pyridinyl]ethane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

N'-[5-[(1R,3S)-3-(2-naphthalen-1-ylethylamino)cyclopentyl]-2-pyridinyl]ethane-1,2-diamine
CID 123935611
2-[2-[[5-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]pyrimidin-2-yl]amino]ethylamino]ethanol
CID 77360456
4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]benzoic acid
CID 59617339
4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid
CID 68781148
N-[(1R)-1-naphthalen-1-ylethyl]-3-[4-(2-pyrazol-1-ylethoxy)phenyl]cyclopentan-1-amine
CID 68781025
3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine
CID 68779176
cis-(1S,3R)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine
CID 67296278
N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine
CID 46181107
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
[4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol
CID 42624182
ethyl 2-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]anilino]acetate
CID 77261600
3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid
CID 68783057

Frequently Asked Questions

What is the IUPAC name of N'-[5-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N'-[5-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]-2-pyridinyl]ethane-1,2-diamine (CID 86698387) is N'-[5-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]-2-pyridinyl]ethane-1,2-diamine is C[C@@H](N[C@H]1CC[C@@H](c2ccc(NCCN)nc2)C1)c1cccc2ccccc12.
What is the InChIKey of N'-[5-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is ANCYWXOXNVIYEG-QFUCXCTJSA-N. The full InChI is InChI=1S/C24H30N4/c1-17(22-8-4-6-18-5-2-3-7-23(18)22)28-21-11-9-19(15-21)20-10-12-24(27-16-20)26-14-13-25/h2-8,10,12,16-17,19,21,28H,9,11,13-15,25H2,1H3,(H,26,27)/t17-,19-,21+/m1/s1.
What are the key properties of N'-[5-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]-2-pyridinyl]ethane-1,2-diamine?
N'-[5-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 374.53 g/mol, XLogP of 4.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 86698387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).