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

C11H20N2 — CID 66399758

IUPACN-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCc1ccn(C)c1
InChIInChI=1S/C11H20N2/c1-4-11(5-2)12-8-10-6-7-13(3)9-10/h6-7,9,11-12H,4-5,8H2,1-3H3
InChIKeyGCSKSQNKEWSVMG-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.30
Rot. Bonds5

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

N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine (PubChem CID 66399758) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
PubChem CID66399758
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCc1ccn(C)c1
InChIInChI=1S/C11H20N2/c1-4-11(5-2)12-8-10-6-7-13(3)9-10/h6-7,9,11-12H,4-5,8H2,1-3H3
InChIKeyGCSKSQNKEWSVMG-UHFFFAOYSA-N
XLogP2.30
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine
CID 66398785
N-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine
CID 115677495
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
1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine
CID 115867956
3-[(1-methylpyrrol-3-yl)methylamino]-4-methylsulfanylbutan-1-ol
CID 115867991
(2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 103992330
N-[(1-methylpyrrol-3-yl)methyl]-1-phenylpropan-2-amine
CID 66398787
2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
CID 66397673
N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 66398766
(2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 103872075
N-[(1-ethylpyrrol-3-yl)methyl]-1-methoxybutan-2-amine
CID 66416176

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine (CID 66399758) is N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine is CCC(CC)NCc1ccn(C)c1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine?
The InChIKey is GCSKSQNKEWSVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-11(5-2)12-8-10-6-7-13(3)9-10/h6-7,9,11-12H,4-5,8H2,1-3H3.
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine?
N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine has a molecular weight of 180.30 g/mol, XLogP of 2.30, 5 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]pentan-3-amine is sourced from PubChem (CID 66399758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).