N'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C14H26N4 — CID 83123025

IUPACN'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1ccc([C@H](C)N)nc1
InChIInChI=1S/C14H26N4/c1-5-8-18(10-9-17(3)4)13-6-7-14(12(2)15)16-11-13/h6-7,11-12H,5,8-10,15H2,1-4H3/t12-/m0/s1
InChIKeyPLVNHEDJMOQBBP-LBPRGKRZSA-N
MW250.39 g/mol
LogP1.88
Rot. Bonds7

About N'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 83123025) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID83123025
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1ccc([C@H](C)N)nc1
InChIInChI=1S/C14H26N4/c1-5-8-18(10-9-17(3)4)13-6-7-14(12(2)15)16-11-13/h6-7,11-12H,5,8-10,15H2,1-4H3/t12-/m0/s1
InChIKeyPLVNHEDJMOQBBP-LBPRGKRZSA-N
XLogP1.88
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine with MolForge

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Related Compounds

N'-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 83122520
(1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol
CID 83132568
6-(1-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine
CID 83127170
6-[(1S)-1-aminoethyl]-N-(cyclopropylmethyl)-N-propylpyridin-3-amine
CID 83122583
6-[(1R)-1-aminoethyl]-N,N-dimethylpyridin-3-amine
CID 83122052
(1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 103938619
1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585320
6-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)pyridin-3-amine
CID 83122832
6-(1-aminoethyl)-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 83128029
6-[(1R)-1-aminopropyl]-N,N-dibutylpyridin-3-amine
CID 103936956
6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine
CID 83127549
6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine
CID 83123142

Frequently Asked Questions

What is the IUPAC name of N'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 83123025) is N'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)c1ccc([C@H](C)N)nc1.
What is the InChIKey of N'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is PLVNHEDJMOQBBP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-8-18(10-9-17(3)4)13-6-7-14(12(2)15)16-11-13/h6-7,11-12H,5,8-10,15H2,1-4H3/t12-/m0/s1.
What are the key properties of N'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 83123025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).