N-hex-5-en-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine

C14H30N2 — CID 104581510

IUPACN-hex-5-en-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESC=CCCC(C)NCCN(C(C)C)C(C)C
InChIInChI=1S/C14H30N2/c1-7-8-9-14(6)15-10-11-16(12(2)3)13(4)5/h7,12-15H,1,8-11H2,2-6H3
InChIKeyVETFQWFWMKOWED-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.05
Rot. Bonds9

About N-hex-5-en-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-hex-5-en-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 104581510) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-hex-5-en-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-hex-5-en-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID104581510
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-hex-5-en-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESC=CCCC(C)NCCN(C(C)C)C(C)C
InChIInChI=1S/C14H30N2/c1-7-8-9-14(6)15-10-11-16(12(2)3)13(4)5/h7,12-15H,1,8-11H2,2-6H3
InChIKeyVETFQWFWMKOWED-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-hex-5-en-2-yl-N',N'-di(propan-2-yl)ethane-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'-hex-5-en-2-ylethane-1,2-diamine
CID 104655615
3-(hex-5-en-2-ylamino)propanenitrile
CID 104655372
N-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43129707
N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine
CID 116533966
3-(hex-5-en-2-ylamino)-N-methylpropanamide
CID 104581947
N-(5-methoxypentyl)hex-5-en-2-amine
CID 104582118
N-(2-piperidin-1-ylethyl)hex-5-en-2-amine
CID 75525501
3-N-hex-5-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine
CID 104582088
N-(2-thiophen-3-ylethyl)hex-5-en-2-amine
CID 104581649
tert-butyl N-[2-(hex-5-en-2-ylamino)ethyl]-N-(2-methoxyethyl)carbamate
CID 104583664
4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol
CID 115493853
N-(4-methoxybutan-2-yl)pent-4-en-1-amine
CID 64603427

Frequently Asked Questions

What is the IUPAC name of N-hex-5-en-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-hex-5-en-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 104581510) is N-hex-5-en-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-hex-5-en-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-hex-5-en-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine is C=CCCC(C)NCCN(C(C)C)C(C)C.
What is the InChIKey of N-hex-5-en-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is VETFQWFWMKOWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-7-8-9-14(6)15-10-11-16(12(2)3)13(4)5/h7,12-15H,1,8-11H2,2-6H3.
What are the key properties of N-hex-5-en-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-hex-5-en-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-en-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 104581510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).