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

C24H30N4 — CID 123935611

IUPACN'-[5-[(1R,3S)-3-(2-naphthalen-1-ylethylamino)cyclopentyl]-2-pyridinyl]ethane-1,2-diamine
SMILESNCCNc1ccc([C@@H]2CC[C@H](NCCc3cccc4ccccc34)C2)cn1
InChIInChI=1S/C24H30N4/c25-13-15-27-24-11-9-21(17-28-24)20-8-10-22(16-20)26-14-12-19-6-3-5-18-4-1-2-7-23(18)19/h1-7,9,11,17,20,22,26H,8,10,12-16,25H2,(H,27,28)/t20-,22+/m1/s1
InChIKeyVIPGGYVOKJXLKK-IRLDBZIGSA-N
MW374.53 g/mol
LogP4.07
Rot. Bonds8

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

N'-[5-[(1R,3S)-3-(2-naphthalen-1-ylethylamino)cyclopentyl]-2-pyridinyl]ethane-1,2-diamine (PubChem CID 123935611) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is N'-[5-[(1R,3S)-3-(2-naphthalen-1-ylethylamino)cyclopentyl]-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-[(1R,3S)-3-(2-naphthalen-1-ylethylamino)cyclopentyl]-2-pyridinyl]ethane-1,2-diamine
PubChem CID123935611
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC NameN'-[5-[(1R,3S)-3-(2-naphthalen-1-ylethylamino)cyclopentyl]-2-pyridinyl]ethane-1,2-diamine
SMILESNCCNc1ccc([C@@H]2CC[C@H](NCCc3cccc4ccccc34)C2)cn1
InChIInChI=1S/C24H30N4/c25-13-15-27-24-11-9-21(17-28-24)20-8-10-22(16-20)26-14-12-19-6-3-5-18-4-1-2-7-23(18)19/h1-7,9,11,17,20,22,26H,8,10,12-16,25H2,(H,27,28)/t20-,22+/m1/s1
InChIKeyVIPGGYVOKJXLKK-IRLDBZIGSA-N
XLogP4.07
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[5-[(1R,3S)-3-(2-naphthalen-1-ylethylamino)cyclopentyl]-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N'-[5-[(1R,3S)-3-(2-naphthalen-1-ylethylamino)cyclopentyl]-2-pyridinyl]ethane-1,2-diamine (CID 123935611) is N'-[5-[(1R,3S)-3-(2-naphthalen-1-ylethylamino)cyclopentyl]-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-[(1R,3S)-3-(2-naphthalen-1-ylethylamino)cyclopentyl]-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-[(1R,3S)-3-(2-naphthalen-1-ylethylamino)cyclopentyl]-2-pyridinyl]ethane-1,2-diamine is NCCNc1ccc([C@@H]2CC[C@H](NCCc3cccc4ccccc34)C2)cn1.
What is the InChIKey of N'-[5-[(1R,3S)-3-(2-naphthalen-1-ylethylamino)cyclopentyl]-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is VIPGGYVOKJXLKK-IRLDBZIGSA-N. The full InChI is InChI=1S/C24H30N4/c25-13-15-27-24-11-9-21(17-28-24)20-8-10-22(16-20)26-14-12-19-6-3-5-18-4-1-2-7-23(18)19/h1-7,9,11,17,20,22,26H,8,10,12-16,25H2,(H,27,28)/t20-,22+/m1/s1.
What are the key properties of N'-[5-[(1R,3S)-3-(2-naphthalen-1-ylethylamino)cyclopentyl]-2-pyridinyl]ethane-1,2-diamine?
N'-[5-[(1R,3S)-3-(2-naphthalen-1-ylethylamino)cyclopentyl]-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 374.53 g/mol, XLogP of 4.07, 8 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-(2-naphthalen-1-ylethylamino)cyclopentyl]-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 123935611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).