4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine

C11H20N2 — CID 62339578

IUPAC4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine
SMILESCC(C)CCCNCc1ccc[nH]1
InChIInChI=1S/C11H20N2/c1-10(2)5-3-7-12-9-11-6-4-8-13-11/h4,6,8,10,12-13H,3,5,7,9H2,1-2H3
InChIKeyJUCRJSTUWZPYRD-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.54
Rot. Bonds6

About 4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine

4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine (PubChem CID 62339578) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine
PubChem CID62339578
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine
SMILESCC(C)CCCNCc1ccc[nH]1
InChIInChI=1S/C11H20N2/c1-10(2)5-3-7-12-9-11-6-4-8-13-11/h4,6,8,10,12-13H,3,5,7,9H2,1-2H3
InChIKeyJUCRJSTUWZPYRD-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 60662724
3-propoxy-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
CID 82941247
2-[(4-methylpentylamino)methyl]phenol
CID 61044240
N-(methoxymethyl)-1-(1H-pyrrol-2-yl)methanamine
CID 115258536
N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide
CID 60664312
N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine
CID 113240682
4-methyl-N-(pyrimidin-2-ylmethyl)pentan-1-amine
CID 62699736
1-N,1-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)butane-1,3-diamine
CID 62339423
3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol
CID 103578645
3-[(4-methylpentylamino)methyl]phenol
CID 60744251
N-[[5-(methoxymethyl)furan-2-yl]methyl]-4-methylpentan-1-amine
CID 115710483
2-but-3-enoxy-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 103578738

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine?
The IUPAC name of 4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine (CID 62339578) is 4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine.
What is the SMILES notation for 4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine?
The canonical SMILES for 4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine is CC(C)CCCNCc1ccc[nH]1.
What is the InChIKey of 4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine?
The InChIKey is JUCRJSTUWZPYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2)5-3-7-12-9-11-6-4-8-13-11/h4,6,8,10,12-13H,3,5,7,9H2,1-2H3.
What are the key properties of 4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine?
4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine has a molecular weight of 180.30 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine is sourced from PubChem (CID 62339578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).