3-(cyclopenta-1,3-dien-1-ylmethylideneamino)-N,N-dimethylpropan-1-amine

C11H18N2 — CID 101209812

IUPAC3-(cyclopenta-1,3-dien-1-ylmethylideneamino)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCC/N=C/C1=CC=CC1
InChIInChI=1S/C11H18N2/c1-13(2)9-5-8-12-10-11-6-3-4-7-11/h3-4,6,10H,5,7-9H2,1-2H3/b12-10+
InChIKeyCCGMGHCQZXIAAC-ZRDIBKRKSA-N
MW178.28 g/mol
LogP1.90
Rot. Bonds5

About 3-(cyclopenta-1,3-dien-1-ylmethylideneamino)-N,N-dimethylpropan-1-amine

3-(cyclopenta-1,3-dien-1-ylmethylideneamino)-N,N-dimethylpropan-1-amine (PubChem CID 101209812) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-(cyclopenta-1,3-dien-1-ylmethylideneamino)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(cyclopenta-1,3-dien-1-ylmethylideneamino)-N,N-dimethylpropan-1-amine
PubChem CID101209812
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-(cyclopenta-1,3-dien-1-ylmethylideneamino)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCC/N=C/C1=CC=CC1
InChIInChI=1S/C11H18N2/c1-13(2)9-5-8-12-10-11-6-3-4-7-11/h3-4,6,10H,5,7-9H2,1-2H3/b12-10+
InChIKeyCCGMGHCQZXIAAC-ZRDIBKRKSA-N
XLogP1.90
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
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 3-(cyclopenta-1,3-dien-1-ylmethylideneamino)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(cyclopenta-1,3-dien-1-ylmethylideneamino)-N,N-dimethylpropan-1-amine (CID 101209812) is 3-(cyclopenta-1,3-dien-1-ylmethylideneamino)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(cyclopenta-1,3-dien-1-ylmethylideneamino)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(cyclopenta-1,3-dien-1-ylmethylideneamino)-N,N-dimethylpropan-1-amine is CN(C)CCC/N=C/C1=CC=CC1.
What is the InChIKey of 3-(cyclopenta-1,3-dien-1-ylmethylideneamino)-N,N-dimethylpropan-1-amine?
The InChIKey is CCGMGHCQZXIAAC-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H18N2/c1-13(2)9-5-8-12-10-11-6-3-4-7-11/h3-4,6,10H,5,7-9H2,1-2H3/b12-10+.
What are the key properties of 3-(cyclopenta-1,3-dien-1-ylmethylideneamino)-N,N-dimethylpropan-1-amine?
3-(cyclopenta-1,3-dien-1-ylmethylideneamino)-N,N-dimethylpropan-1-amine has a molecular weight of 178.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopenta-1,3-dien-1-ylmethylideneamino)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 101209812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).