N-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine

C12H22N2 — CID 66398785

IUPACN-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine
SMILESCCCC(CC)NCc1ccn(C)c1
InChIInChI=1S/C12H22N2/c1-4-6-12(5-2)13-9-11-7-8-14(3)10-11/h7-8,10,12-13H,4-6,9H2,1-3H3
InChIKeyNLYKJOBSJHYGEC-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.69
Rot. Bonds6

About N-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine

N-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine (PubChem CID 66398785) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine
PubChem CID66398785
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine
SMILESCCCC(CC)NCc1ccn(C)c1
InChIInChI=1S/C12H22N2/c1-4-6-12(5-2)13-9-11-7-8-14(3)10-11/h7-8,10,12-13H,4-6,9H2,1-3H3
InChIKeyNLYKJOBSJHYGEC-UHFFFAOYSA-N
XLogP2.69
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine
CID 115677495
N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
CID 66399758
tert-butyl N-[2-[(1-methylpyrrol-3-yl)methylamino]pentyl]carbamate
CID 107253653
3-[(1-methylpyrrol-3-yl)methylamino]-4-methylsulfanylbutan-1-ol
CID 115867991
N-[(4-methylphenyl)methyl]hexan-3-amine
CID 62117408
2,2-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
CID 115867933
4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol
CID 66400659
N-[(4-chlorophenyl)methyl]hexan-3-amine
CID 62118720
N-[(4-fluorophenyl)methyl]hexan-3-amine
CID 62118907
1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine
CID 115867956
2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
CID 66397673
1-methoxy-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
CID 115726415

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine (CID 66398785) is N-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine is CCCC(CC)NCc1ccn(C)c1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine?
The InChIKey is NLYKJOBSJHYGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-6-12(5-2)13-9-11-7-8-14(3)10-11/h7-8,10,12-13H,4-6,9H2,1-3H3.
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine?
N-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine has a molecular weight of 194.32 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine is sourced from PubChem (CID 66398785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).