N-(pyridin-2-ylmethyl)-N-(1H-pyrrol-2-ylmethyl)butan-1-amine

C15H21N3 — CID 15433725

IUPACN-(pyridin-2-ylmethyl)-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
SMILESCCCCN(Cc1ccccn1)Cc1ccc[nH]1
InChIInChI=1S/C15H21N3/c1-2-3-11-18(13-15-8-6-10-17-15)12-14-7-4-5-9-16-14/h4-10,17H,2-3,11-13H2,1H3
InChIKeyFOZSWYORGDHRQT-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.21
Rot. Bonds7

About N-(pyridin-2-ylmethyl)-N-(1H-pyrrol-2-ylmethyl)butan-1-amine

N-(pyridin-2-ylmethyl)-N-(1H-pyrrol-2-ylmethyl)butan-1-amine (PubChem CID 15433725) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-N-(1H-pyrrol-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
PubChem CID15433725
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-(pyridin-2-ylmethyl)-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
SMILESCCCCN(Cc1ccccn1)Cc1ccc[nH]1
InChIInChI=1S/C15H21N3/c1-2-3-11-18(13-15-8-6-10-17-15)12-14-7-4-5-9-16-14/h4-10,17H,2-3,11-13H2,1H3
InChIKeyFOZSWYORGDHRQT-UHFFFAOYSA-N
XLogP3.21
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[butyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine
CID 71426067
N-benzyl-N,N',N'-tris(pyridin-2-ylmethyl)propane-1,3-diamine
CID 101205113
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
(E)-N-octadecyl-N,N',N'-tris(pyridin-2-ylmethyl)ethene-1,2-diamine
CID 66810162
N'-butyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 63761672
6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one
CID 106801535
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 144884135
1-(4-dodecylphenyl)-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 70525821
N-[[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4,6-triethylphenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 15846287
N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;N,N-dimethyl-N',N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 158625319
3-[bis(pyridin-2-ylmethyl)amino]-N-octadecylpropanamide
CID 10885861

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-N-(1H-pyrrol-2-ylmethyl)butan-1-amine?
The IUPAC name of N-(pyridin-2-ylmethyl)-N-(1H-pyrrol-2-ylmethyl)butan-1-amine (CID 15433725) is N-(pyridin-2-ylmethyl)-N-(1H-pyrrol-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-N-(1H-pyrrol-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-N-(1H-pyrrol-2-ylmethyl)butan-1-amine is CCCCN(Cc1ccccn1)Cc1ccc[nH]1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-N-(1H-pyrrol-2-ylmethyl)butan-1-amine?
The InChIKey is FOZSWYORGDHRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-3-11-18(13-15-8-6-10-17-15)12-14-7-4-5-9-16-14/h4-10,17H,2-3,11-13H2,1H3.
What are the key properties of N-(pyridin-2-ylmethyl)-N-(1H-pyrrol-2-ylmethyl)butan-1-amine?
N-(pyridin-2-ylmethyl)-N-(1H-pyrrol-2-ylmethyl)butan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-N-(1H-pyrrol-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 15433725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).