1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine

C13H23N3 — CID 62043801

IUPAC1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine
SMILESCCCC(CN(C)Cc1cccnc1)NC
InChIInChI=1S/C13H23N3/c1-4-6-13(14-2)11-16(3)10-12-7-5-8-15-9-12/h5,7-9,13-14H,4,6,10-11H2,1-3H3
InChIKeyQFABZGHGJWFDBT-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.90
Rot. Bonds7

About 1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine

1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine (PubChem CID 62043801) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine
PubChem CID62043801
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine
SMILESCCCC(CN(C)Cc1cccnc1)NC
InChIInChI=1S/C13H23N3/c1-4-6-13(14-2)11-16(3)10-12-7-5-8-15-9-12/h5,7-9,13-14H,4,6,10-11H2,1-3H3
InChIKeyQFABZGHGJWFDBT-UHFFFAOYSA-N
XLogP1.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(3-methoxyphenyl)methyl]-1-N,2-N-dimethylpentane-1,2-diamine
CID 62042937
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
CID 115474925
2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine
CID 55247242
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
N,4-dimethyl-1-pyridin-3-ylheptan-2-amine
CID 62604003
N-(pyridin-3-ylmethyl)heptan-4-amine
CID 28671703
4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 115122746
1-N-methyl-4-N-propyl-1-N-(pyridin-3-ylmethyl)hexane-1,4-diamine
CID 106799376
N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
N-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62433595
1-N-ethyl-1-N,2-N-dimethylpentane-1,2-diamine
CID 62044232

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine (CID 62043801) is 1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine is CCCC(CN(C)Cc1cccnc1)NC.
What is the InChIKey of 1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine?
The InChIKey is QFABZGHGJWFDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-6-13(14-2)11-16(3)10-12-7-5-8-15-9-12/h5,7-9,13-14H,4,6,10-11H2,1-3H3.
What are the key properties of 1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine?
1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine is sourced from PubChem (CID 62043801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).