N-(1H-pyrrol-2-ylmethyl)hexan-3-amine

C11H20N2 — CID 62338893

IUPACN-(1H-pyrrol-2-ylmethyl)hexan-3-amine
SMILESCCCC(CC)NCc1ccc[nH]1
InChIInChI=1S/C11H20N2/c1-3-6-10(4-2)13-9-11-7-5-8-12-11/h5,7-8,10,12-13H,3-4,6,9H2,1-2H3
InChIKeyGVSCYAHESCUMKW-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.68
Rot. Bonds6

About N-(1H-pyrrol-2-ylmethyl)hexan-3-amine

N-(1H-pyrrol-2-ylmethyl)hexan-3-amine (PubChem CID 62338893) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is N-(1H-pyrrol-2-ylmethyl)hexan-3-amine.

Molecular Properties

Compound NameN-(1H-pyrrol-2-ylmethyl)hexan-3-amine
PubChem CID62338893
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC NameN-(1H-pyrrol-2-ylmethyl)hexan-3-amine
SMILESCCCC(CC)NCc1ccc[nH]1
InChIInChI=1S/C11H20N2/c1-3-6-10(4-2)13-9-11-7-5-8-12-11/h5,7-8,10,12-13H,3-4,6,9H2,1-2H3
InChIKeyGVSCYAHESCUMKW-UHFFFAOYSA-N
XLogP2.68
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-fluorophenyl)methyl]hexan-3-amine
CID 62118907
3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine
CID 115138127
1-N,1-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)butane-1,3-diamine
CID 62339423
N-[(4-methylphenyl)methyl]hexan-3-amine
CID 62117408
N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 60662724
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine
CID 64799152
4,4,4-trifluoro-N-(1H-pyrrol-2-ylmethyl)butan-2-amine
CID 103578817
N-[(4-chlorophenyl)methyl]hexan-3-amine
CID 62118720
N-(1H-pyrazol-5-ylmethyl)heptan-3-amine
CID 63946149
N-(naphthalen-2-ylmethyl)hexan-3-amine
CID 63477604
(1R)-1-cyclopentyl-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 81396209
1H-pyrrol-2-ylmethylhydrazine
CID 53275207

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-2-ylmethyl)hexan-3-amine?
The IUPAC name of N-(1H-pyrrol-2-ylmethyl)hexan-3-amine (CID 62338893) is N-(1H-pyrrol-2-ylmethyl)hexan-3-amine.
What is the SMILES notation for N-(1H-pyrrol-2-ylmethyl)hexan-3-amine?
The canonical SMILES for N-(1H-pyrrol-2-ylmethyl)hexan-3-amine is CCCC(CC)NCc1ccc[nH]1.
What is the InChIKey of N-(1H-pyrrol-2-ylmethyl)hexan-3-amine?
The InChIKey is GVSCYAHESCUMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-6-10(4-2)13-9-11-7-5-8-12-11/h5,7-8,10,12-13H,3-4,6,9H2,1-2H3.
What are the key properties of N-(1H-pyrrol-2-ylmethyl)hexan-3-amine?
N-(1H-pyrrol-2-ylmethyl)hexan-3-amine has a molecular weight of 180.30 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-2-ylmethyl)hexan-3-amine is sourced from PubChem (CID 62338893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).