N-methyl-4-(3-methylbutyl)cyclopenta-1,3-dien-1-amine

C11H19N — CID 129031718

IUPACN-methyl-4-(3-methylbutyl)cyclopenta-1,3-dien-1-amine
SMILESCNC1=CC=C(CCC(C)C)C1
InChIInChI=1S/C11H19N/c1-9(2)4-5-10-6-7-11(8-10)12-3/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyYAHRXMBELHEDDS-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.86
Rot. Bonds4

About N-methyl-4-(3-methylbutyl)cyclopenta-1,3-dien-1-amine

N-methyl-4-(3-methylbutyl)cyclopenta-1,3-dien-1-amine (PubChem CID 129031718) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-methyl-4-(3-methylbutyl)cyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound NameN-methyl-4-(3-methylbutyl)cyclopenta-1,3-dien-1-amine
PubChem CID129031718
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-methyl-4-(3-methylbutyl)cyclopenta-1,3-dien-1-amine
SMILESCNC1=CC=C(CCC(C)C)C1
InChIInChI=1S/C11H19N/c1-9(2)4-5-10-6-7-11(8-10)12-3/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyYAHRXMBELHEDDS-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyldecahydrocyclododeca[b]pyrrole
CID 129801363
3-[2-fluoro-4-(2-propylpentyl)cyclopenta-1,3-dien-1-yl]-N-methylhepta-1,6-dien-2-amine
CID 172389053
5-ethyl-N-methyl-2-pent-4-enylcyclopenten-1-amine
CID 59933174
4-methylidene-5,6-di(propan-2-yl)-2,3-dihydro-1H-pyridine
CID 60125823
3-Methylidene-4,5-di(propan-2-yl)-1,2-dihydropyrrole
CID 60125827
(3R)-2-(1-aminoethenyl)-N,3-dimethylcyclopenten-1-amine
CID 68242633
N-methyl-1-[2-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]methanamine
CID 68335214
N-methyl-1-[(1R)-2-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]methanamine
CID 68335218
N-methyl-1-[(1S)-2-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]methanamine
CID 68335221
(Z)-1-(2-ethyl-4-propylcyclohex-2-en-1-yl)-N-methylprop-1-en-1-amine
CID 70960155
(5R)-N-methyl-5-propylcyclohexa-1,3-dien-1-amine
CID 88993019
N-ethenyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine
CID 88997056

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-methylbutyl)cyclopenta-1,3-dien-1-amine?
The IUPAC name of N-methyl-4-(3-methylbutyl)cyclopenta-1,3-dien-1-amine (CID 129031718) is N-methyl-4-(3-methylbutyl)cyclopenta-1,3-dien-1-amine.
What is the SMILES notation for N-methyl-4-(3-methylbutyl)cyclopenta-1,3-dien-1-amine?
The canonical SMILES for N-methyl-4-(3-methylbutyl)cyclopenta-1,3-dien-1-amine is CNC1=CC=C(CCC(C)C)C1.
What is the InChIKey of N-methyl-4-(3-methylbutyl)cyclopenta-1,3-dien-1-amine?
The InChIKey is YAHRXMBELHEDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-9(2)4-5-10-6-7-11(8-10)12-3/h6-7,9,12H,4-5,8H2,1-3H3.
What are the key properties of N-methyl-4-(3-methylbutyl)cyclopenta-1,3-dien-1-amine?
N-methyl-4-(3-methylbutyl)cyclopenta-1,3-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-methylbutyl)cyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 129031718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).