2,2,4-trimethylcyclohept-4-en-1-amine

C10H19N — CID 123414620

IUPAC2,2,4-trimethylcyclohept-4-en-1-amine
SMILESCC1=CCCC(N)C(C)(C)C1
InChIInChI=1S/C10H19N/c1-8-5-4-6-9(11)10(2,3)7-8/h5,9H,4,6-7,11H2,1-3H3
InChIKeyRFHQBDROVWCTNK-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.47
Rot. Bonds

About 2,2,4-trimethylcyclohept-4-en-1-amine

2,2,4-trimethylcyclohept-4-en-1-amine (PubChem CID 123414620) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2,2,4-trimethylcyclohept-4-en-1-amine.

Molecular Properties

Compound Name2,2,4-trimethylcyclohept-4-en-1-amine
PubChem CID123414620
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2,2,4-trimethylcyclohept-4-en-1-amine
SMILESCC1=CCCC(N)C(C)(C)C1
InChIInChI=1S/C10H19N/c1-8-5-4-6-9(11)10(2,3)7-8/h5,9H,4,6-7,11H2,1-3H3
InChIKeyRFHQBDROVWCTNK-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 216694
1-Cyclopentene-1-ethanamine, alpha-ethyl-2,3,3-trimethyl-, hydrochloride
CID 216696
1-(2,3,3-Trimethylcyclopent-1-en-1-yl)pentan-2-amine--hydrogen chloride (1/1)
CID 3073285
poly(beta-D-mannuronate) lyase
CID 168356126
1-(Cyclohex-1-en-1-yl)propan-2-amine
CID 231262
2-(4,4-Dimethylcyclohex-1-en-1-yl)-2-methylpropan-1-amine hydrochloride
CID 165978136
4-Ethyl-2-fluoro-5-methylcyclohex-3-en-1-amine
CID 89749912
[3-Ethyl-1-(fluoromethyl)cyclohex-3-en-1-yl]methanamine
CID 163480796
4-(2,6,6-Trimethylcyclohexen-1-yl)butan-2-amine;hydrochloride
CID 54603890
5-Isopropenyl-2-methyl-cyclohex-2-enylamine
CID 4137734
(5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-amine
CID 45790768
o-Cyclo-dodecatrienyl-2,5-xylidine
CID 129816276

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethylcyclohept-4-en-1-amine?
The IUPAC name of 2,2,4-trimethylcyclohept-4-en-1-amine (CID 123414620) is 2,2,4-trimethylcyclohept-4-en-1-amine.
What is the SMILES notation for 2,2,4-trimethylcyclohept-4-en-1-amine?
The canonical SMILES for 2,2,4-trimethylcyclohept-4-en-1-amine is CC1=CCCC(N)C(C)(C)C1.
What is the InChIKey of 2,2,4-trimethylcyclohept-4-en-1-amine?
The InChIKey is RFHQBDROVWCTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8-5-4-6-9(11)10(2,3)7-8/h5,9H,4,6-7,11H2,1-3H3.
What are the key properties of 2,2,4-trimethylcyclohept-4-en-1-amine?
2,2,4-trimethylcyclohept-4-en-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethylcyclohept-4-en-1-amine is sourced from PubChem (CID 123414620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).