4-(4,4-dimethylazepan-1-yl)-N-ethylbutan-2-amine

C14H30N2 — CID 65281071

IUPAC4-(4,4-dimethylazepan-1-yl)-N-ethylbutan-2-amine
SMILESCCNC(C)CCN1CCCC(C)(C)CC1
InChIInChI=1S/C14H30N2/c1-5-15-13(2)7-11-16-10-6-8-14(3,4)9-12-16/h13,15H,5-12H2,1-4H3
InChIKeyGETJYHORHUXIMF-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds5

About 4-(4,4-dimethylazepan-1-yl)-N-ethylbutan-2-amine

4-(4,4-dimethylazepan-1-yl)-N-ethylbutan-2-amine (PubChem CID 65281071) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 4-(4,4-dimethylazepan-1-yl)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name4-(4,4-dimethylazepan-1-yl)-N-ethylbutan-2-amine
PubChem CID65281071
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name4-(4,4-dimethylazepan-1-yl)-N-ethylbutan-2-amine
SMILESCCNC(C)CCN1CCCC(C)(C)CC1
InChIInChI=1S/C14H30N2/c1-5-15-13(2)7-11-16-10-6-8-14(3,4)9-12-16/h13,15H,5-12H2,1-4H3
InChIKeyGETJYHORHUXIMF-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4,4-dimethylazepan-1-yl)-N-ethylbutan-2-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

1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine
CID 65281511
4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butan-1-ol
CID 64791854
N-ethyl-4-(1,4-oxazepan-4-yl)butan-2-amine
CID 62987293
5-(2,2-dimethylpyrrolidin-1-yl)-N-ethylpentan-2-amine
CID 63220042
1-cyclopropyl-N-[2-(4,4-dimethylazepan-1-yl)ethyl]ethanamine
CID 65286870
4,4-dimethyl-1-pentylazepane
CID 18723213
4-(4,4-dimethylazepan-1-yl)-2-(propan-2-ylamino)butanamide
CID 65281802
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate
CID 63055247
4-(4-butan-2-ylpiperazin-1-yl)-N-ethylbutan-2-amine
CID 62772464
1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine
CID 104746542
4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine
CID 63207050
4,4-dimethyl-1-propylazocane;ethane
CID 144928952

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylazepan-1-yl)-N-ethylbutan-2-amine?
The IUPAC name of 4-(4,4-dimethylazepan-1-yl)-N-ethylbutan-2-amine (CID 65281071) is 4-(4,4-dimethylazepan-1-yl)-N-ethylbutan-2-amine.
What is the SMILES notation for 4-(4,4-dimethylazepan-1-yl)-N-ethylbutan-2-amine?
The canonical SMILES for 4-(4,4-dimethylazepan-1-yl)-N-ethylbutan-2-amine is CCNC(C)CCN1CCCC(C)(C)CC1.
What is the InChIKey of 4-(4,4-dimethylazepan-1-yl)-N-ethylbutan-2-amine?
The InChIKey is GETJYHORHUXIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-15-13(2)7-11-16-10-6-8-14(3,4)9-12-16/h13,15H,5-12H2,1-4H3.
What are the key properties of 4-(4,4-dimethylazepan-1-yl)-N-ethylbutan-2-amine?
4-(4,4-dimethylazepan-1-yl)-N-ethylbutan-2-amine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylazepan-1-yl)-N-ethylbutan-2-amine is sourced from PubChem (CID 65281071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).