azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine

C15H27N5 — CID 158212763

IUPACazane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine
SMILESC.N.N.NCc1ccc(CNCc2ccccn2)cc1
InChIInChI=1S/C14H17N3.CH4.2H3N/c15-9-12-4-6-13(7-5-12)10-16-11-14-3-1-2-8-17-14;;;/h1-8,16H,9-11,15H2;1H4;2*1H3
InChIKeyBMQSVZCTYIPSNR-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.79
Rot. Bonds5

About azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine

azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine (PubChem CID 158212763) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine.

Molecular Properties

Compound Nameazane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine
PubChem CID158212763
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Nameazane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine
SMILESC.N.N.NCc1ccc(CNCc2ccccn2)cc1
InChIInChI=1S/C14H17N3.CH4.2H3N/c15-9-12-4-6-13(7-5-12)10-16-11-14-3-1-2-8-17-14;;;/h1-8,16H,9-11,15H2;1H4;2*1H3
InChIKeyBMQSVZCTYIPSNR-UHFFFAOYSA-N
XLogP2.79
TPSA120.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 44782427
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
1-[4-(methoxymethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 60751892
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid
CID 103235916
N,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline
CID 834543
1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 4719779
1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 17294585
trans-(1S,2S)-2-N-(pyridin-2-ylmethyl)-1-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]cyclohexane-1,2-diamine
CID 59989995
1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 83962786
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921

Frequently Asked Questions

What is the IUPAC name of azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine?
The IUPAC name of azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine (CID 158212763) is azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine.
What is the SMILES notation for azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine?
The canonical SMILES for azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine is C.N.N.NCc1ccc(CNCc2ccccn2)cc1.
What is the InChIKey of azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine?
The InChIKey is BMQSVZCTYIPSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.CH4.2H3N/c15-9-12-4-6-13(7-5-12)10-16-11-14-3-1-2-8-17-14;;;/h1-8,16H,9-11,15H2;1H4;2*1H3.
What are the key properties of azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine?
azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine has a molecular weight of 277.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine is sourced from PubChem (CID 158212763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).