2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine

C14H30N2 — CID 43273695

IUPAC2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine
SMILESCCN(CC(C)C)C1CCCCCCC1N
InChIInChI=1S/C14H30N2/c1-4-16(11-12(2)3)14-10-8-6-5-7-9-13(14)15/h12-14H,4-11,15H2,1-3H3
InChIKeyHJNMBTAFMNSCQN-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.01
Rot. Bonds4

About 2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine

2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine (PubChem CID 43273695) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine
PubChem CID43273695
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine
SMILESCCN(CC(C)C)C1CCCCCCC1N
InChIInChI=1S/C14H30N2/c1-4-16(11-12(2)3)14-10-8-6-5-7-9-13(14)15/h12-14H,4-11,15H2,1-3H3
InChIKeyHJNMBTAFMNSCQN-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine 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

2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine
CID 79477922
2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol
CID 63472662
2-N-ethyl-2-N-(2-methylpropyl)-1-N-propylcyclooctane-1,2-diamine
CID 63467359
2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine
CID 43295671
2-N-ethyl-2-N-methylcyclododecane-1,2-diamine
CID 43263336
2-N-butan-2-yl-2-N-ethylcyclohexane-1,2-diamine
CID 43274468
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine
CID 103188400
2-[(2-aminocyclohexyl)-ethylamino]acetamide
CID 103103943
1-N-cyclopentyl-1-N-ethylcycloheptane-1,2-diamine
CID 43541082
2-[(2-aminocyclohexyl)-ethylamino]-N,N-dimethylacetamide
CID 61449581
2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine
CID 43269481
trans-(1S,2S)-2-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine
CID 68502768

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine (CID 43273695) is 2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine is CCN(CC(C)C)C1CCCCCCC1N.
What is the InChIKey of 2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine?
The InChIKey is HJNMBTAFMNSCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-16(11-12(2)3)14-10-8-6-5-7-9-13(14)15/h12-14H,4-11,15H2,1-3H3.
What are the key properties of 2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine?
2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine is sourced from PubChem (CID 43273695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).