4,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cycloheptan-1-amine

C15H29NO — CID 114465917

IUPAC4,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cycloheptan-1-amine
SMILESC=C(C)COCCNC1CCCC(C)(C)CC1
InChIInChI=1S/C15H29NO/c1-13(2)12-17-11-10-16-14-6-5-8-15(3,4)9-7-14/h14,16H,1,5-12H2,2-4H3
InChIKeyJSWMCOVECUSXGJ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.53
Rot. Bonds6

About 4,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cycloheptan-1-amine

4,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cycloheptan-1-amine (PubChem CID 114465917) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cycloheptan-1-amine
PubChem CID114465917
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cycloheptan-1-amine
SMILESC=C(C)COCCNC1CCCC(C)(C)CC1
InChIInChI=1S/C15H29NO/c1-13(2)12-17-11-10-16-14-6-5-8-15(3,4)9-7-14/h14,16H,1,5-12H2,2-4H3
InChIKeyJSWMCOVECUSXGJ-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]spiro[4.5]decan-8-amine
CID 114817951
2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide
CID 106235196
3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 115699234
N-[2-(2-methylprop-2-enoxy)ethyl]oxetan-3-amine
CID 114465933
N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65082955
6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol
CID 114008759
2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol
CID 80692164
N-[2-(2-methylprop-2-enoxy)ethyl]-1,1-dioxothietan-3-amine
CID 135392293
3-[(4,4-dimethylcycloheptyl)amino]propanoic acid
CID 65084019
trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol
CID 102734200
N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine
CID 65084515
1-benzyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine
CID 115699248

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cycloheptan-1-amine (CID 114465917) is 4,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cycloheptan-1-amine is C=C(C)COCCNC1CCCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cycloheptan-1-amine?
The InChIKey is JSWMCOVECUSXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(2)12-17-11-10-16-14-6-5-8-15(3,4)9-7-14/h14,16H,1,5-12H2,2-4H3.
What are the key properties of 4,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cycloheptan-1-amine?
4,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cycloheptan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cycloheptan-1-amine is sourced from PubChem (CID 114465917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).