N-butan-2-yl-N-butyl-1-pyridin-2-ylethane-1,2-diamine

C15H27N3 — CID 55004964

IUPACN-butan-2-yl-N-butyl-1-pyridin-2-ylethane-1,2-diamine
SMILESCCCCN(C(C)CC)C(CN)c1ccccn1
InChIInChI=1S/C15H27N3/c1-4-6-11-18(13(3)5-2)15(12-16)14-9-7-8-10-17-14/h7-10,13,15H,4-6,11-12,16H2,1-3H3
InChIKeyCVRUSQKIHNFJGR-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.98
Rot. Bonds8

About N-butan-2-yl-N-butyl-1-pyridin-2-ylethane-1,2-diamine

N-butan-2-yl-N-butyl-1-pyridin-2-ylethane-1,2-diamine (PubChem CID 55004964) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-1-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-1-pyridin-2-ylethane-1,2-diamine
PubChem CID55004964
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-butan-2-yl-N-butyl-1-pyridin-2-ylethane-1,2-diamine
SMILESCCCCN(C(C)CC)C(CN)c1ccccn1
InChIInChI=1S/C15H27N3/c1-4-6-11-18(13(3)5-2)15(12-16)14-9-7-8-10-17-14/h7-10,13,15H,4-6,11-12,16H2,1-3H3
InChIKeyCVRUSQKIHNFJGR-UHFFFAOYSA-N
XLogP2.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-1-pyridin-2-ylethyl)-methylamino]propan-1-ol
CID 104551342
N',N'-bis(1-pyridin-2-ylethyl)butane-1,4-diamine
CID 58997062
N-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine
CID 60710064
N,N-bis(2-ethoxyethyl)-1-pyridin-2-ylethane-1,2-diamine
CID 82965174
N-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66116888
N-butan-2-yl-N-butyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 54940568
2-pyridin-2-ylpropan-1-amine
CID 21481533
1-(3-bromothiophen-2-yl)-N-butan-2-yl-N-butylethane-1,2-diamine
CID 115380378
3-(1-pyridin-2-ylethylsulfanyl)propan-1-amine
CID 71320210
N-methyl-N-(4-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine
CID 114991327
(2R)-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 96736561
N-methyl-1-pyridin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79475879

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-1-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N-butyl-1-pyridin-2-ylethane-1,2-diamine (CID 55004964) is N-butan-2-yl-N-butyl-1-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N-butyl-1-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N-butyl-1-pyridin-2-ylethane-1,2-diamine is CCCCN(C(C)CC)C(CN)c1ccccn1.
What is the InChIKey of N-butan-2-yl-N-butyl-1-pyridin-2-ylethane-1,2-diamine?
The InChIKey is CVRUSQKIHNFJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-6-11-18(13(3)5-2)15(12-16)14-9-7-8-10-17-14/h7-10,13,15H,4-6,11-12,16H2,1-3H3.
What are the key properties of N-butan-2-yl-N-butyl-1-pyridin-2-ylethane-1,2-diamine?
N-butan-2-yl-N-butyl-1-pyridin-2-ylethane-1,2-diamine has a molecular weight of 249.40 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-1-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 55004964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).