N-butyl-5-(1,4-diazepan-1-yl)-N-methylpyridin-3-amine

C15H26N4 — CID 22053459

IUPACN-butyl-5-(1,4-diazepan-1-yl)-N-methylpyridin-3-amine
SMILESCCCCN(C)c1cncc(N2CCCNCC2)c1
InChIInChI=1S/C15H26N4/c1-3-4-8-18(2)14-11-15(13-17-12-14)19-9-5-6-16-7-10-19/h11-13,16H,3-10H2,1-2H3
InChIKeyGIIZTVCFWOCZBI-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.12
Rot. Bonds5

About N-butyl-5-(1,4-diazepan-1-yl)-N-methylpyridin-3-amine

N-butyl-5-(1,4-diazepan-1-yl)-N-methylpyridin-3-amine (PubChem CID 22053459) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-butyl-5-(1,4-diazepan-1-yl)-N-methylpyridin-3-amine.

Molecular Properties

Compound NameN-butyl-5-(1,4-diazepan-1-yl)-N-methylpyridin-3-amine
PubChem CID22053459
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-butyl-5-(1,4-diazepan-1-yl)-N-methylpyridin-3-amine
SMILESCCCCN(C)c1cncc(N2CCCNCC2)c1
InChIInChI=1S/C15H26N4/c1-3-4-8-18(2)14-11-15(13-17-12-14)19-9-5-6-16-7-10-19/h11-13,16H,3-10H2,1-2H3
InChIKeyGIIZTVCFWOCZBI-UHFFFAOYSA-N
XLogP2.12
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-Diaminopyridine
CID 5918
Betahistine
CID 2366
3-Aminopyridine
CID 10009
1-Pyridin-3-yl-1,4-diazepane
CID 10654891
1-(4-Pyridyl)piperazine
CID 70517
N-methyl-1-(pyridin-2-yl)methanamine
CID 88757
1-(6-Bromopyridin-3-yl)-1,4-diazepane
CID 10131290
1-(5-Phenylpyridin-3-yl)-1,4-diazepane
CID 10777277
Piperazine, 2-pyridylethyl-
CID 566605
1-(Pyridin-3-yl)piperazine
CID 437234
1-Methyl-4-(pyridin-3-yl)piperazine
CID 10058072
1-N,1-N-dimethyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-diamine
CID 39247144

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(1,4-diazepan-1-yl)-N-methylpyridin-3-amine?
The IUPAC name of N-butyl-5-(1,4-diazepan-1-yl)-N-methylpyridin-3-amine (CID 22053459) is N-butyl-5-(1,4-diazepan-1-yl)-N-methylpyridin-3-amine.
What is the SMILES notation for N-butyl-5-(1,4-diazepan-1-yl)-N-methylpyridin-3-amine?
The canonical SMILES for N-butyl-5-(1,4-diazepan-1-yl)-N-methylpyridin-3-amine is CCCCN(C)c1cncc(N2CCCNCC2)c1.
What is the InChIKey of N-butyl-5-(1,4-diazepan-1-yl)-N-methylpyridin-3-amine?
The InChIKey is GIIZTVCFWOCZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-4-8-18(2)14-11-15(13-17-12-14)19-9-5-6-16-7-10-19/h11-13,16H,3-10H2,1-2H3.
What are the key properties of N-butyl-5-(1,4-diazepan-1-yl)-N-methylpyridin-3-amine?
N-butyl-5-(1,4-diazepan-1-yl)-N-methylpyridin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(1,4-diazepan-1-yl)-N-methylpyridin-3-amine is sourced from PubChem (CID 22053459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).