1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine

C16H30N2 — CID 43771706

IUPAC1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNC1CC2CC=CC21)N(C)C
InChIInChI=1S/C16H30N2/c1-5-12(6-2)16(18(3)4)11-17-15-10-13-8-7-9-14(13)15/h7,9,12-17H,5-6,8,10-11H2,1-4H3
InChIKeyPRNMPMIYRRJIQT-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.91
Rot. Bonds7

About 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine

1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 43771706) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
PubChem CID43771706
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNC1CC2CC=CC21)N(C)C
InChIInChI=1S/C16H30N2/c1-5-12(6-2)16(18(3)4)11-17-15-10-13-8-7-9-14(13)15/h7,9,12-17H,5-6,8,10-11H2,1-4H3
InChIKeyPRNMPMIYRRJIQT-UHFFFAOYSA-N
XLogP2.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-ethyl-2-N,2-N-dimethylpentane-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

N-(cyclopropylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43756772
N'-(6-bicyclo[3.2.0]hept-3-enyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43223346
1-N-(6-bicyclo[3.2.0]hept-3-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43223906
2-N-(6-bicyclo[3.2.0]hept-3-enyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939082
1-N-(3,5-dimethylcyclohexyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 64724628
3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]pentan-3-ol
CID 65105673
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 79352840
N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 115325152
N-(2-methylcyclopropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 62398101
3-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N-diethylpropanamide
CID 60925183
tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethyl]carbamate
CID 107244030
3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine
CID 106871598

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The IUPAC name of 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (CID 43771706) is 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is CCC(CC)C(CNC1CC2CC=CC21)N(C)C.
What is the InChIKey of 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The InChIKey is PRNMPMIYRRJIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-5-12(6-2)16(18(3)4)11-17-15-10-13-8-7-9-14(13)15/h7,9,12-17H,5-6,8,10-11H2,1-4H3.
What are the key properties of 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 250.43 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 43771706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).