7-(5-methyl-2-methylimino-3H-pyrrol-1-yl)heptan-1-amine

C13H25N3 — CID 71215593

IUPAC7-(5-methyl-2-methylimino-3H-pyrrol-1-yl)heptan-1-amine
SMILESC/N=C1\CC=C(C)N1CCCCCCCN
InChIInChI=1S/C13H25N3/c1-12-8-9-13(15-2)16(12)11-7-5-3-4-6-10-14/h8H,3-7,9-11,14H2,1-2H3/b15-13+
InChIKeyJRTBXXWYWTZZFT-FYWRMAATSA-N
MW223.36 g/mol
LogP2.53
Rot. Bonds7

About 7-(5-methyl-2-methylimino-3H-pyrrol-1-yl)heptan-1-amine

7-(5-methyl-2-methylimino-3H-pyrrol-1-yl)heptan-1-amine (PubChem CID 71215593) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 7-(5-methyl-2-methylimino-3H-pyrrol-1-yl)heptan-1-amine.

Molecular Properties

Compound Name7-(5-methyl-2-methylimino-3H-pyrrol-1-yl)heptan-1-amine
PubChem CID71215593
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name7-(5-methyl-2-methylimino-3H-pyrrol-1-yl)heptan-1-amine
SMILESC/N=C1\CC=C(C)N1CCCCCCCN
InChIInChI=1S/C13H25N3/c1-12-8-9-13(15-2)16(12)11-7-5-3-4-6-10-14/h8H,3-7,9-11,14H2,1-2H3/b15-13+
InChIKeyJRTBXXWYWTZZFT-FYWRMAATSA-N
XLogP2.53
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methyl-2-methylimino-3H-pyrrol-1-yl)heptan-1-amine?
The IUPAC name of 7-(5-methyl-2-methylimino-3H-pyrrol-1-yl)heptan-1-amine (CID 71215593) is 7-(5-methyl-2-methylimino-3H-pyrrol-1-yl)heptan-1-amine.
What is the SMILES notation for 7-(5-methyl-2-methylimino-3H-pyrrol-1-yl)heptan-1-amine?
The canonical SMILES for 7-(5-methyl-2-methylimino-3H-pyrrol-1-yl)heptan-1-amine is C/N=C1\CC=C(C)N1CCCCCCCN.
What is the InChIKey of 7-(5-methyl-2-methylimino-3H-pyrrol-1-yl)heptan-1-amine?
The InChIKey is JRTBXXWYWTZZFT-FYWRMAATSA-N. The full InChI is InChI=1S/C13H25N3/c1-12-8-9-13(15-2)16(12)11-7-5-3-4-6-10-14/h8H,3-7,9-11,14H2,1-2H3/b15-13+.
What are the key properties of 7-(5-methyl-2-methylimino-3H-pyrrol-1-yl)heptan-1-amine?
7-(5-methyl-2-methylimino-3H-pyrrol-1-yl)heptan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methyl-2-methylimino-3H-pyrrol-1-yl)heptan-1-amine is sourced from PubChem (CID 71215593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).