N-(3,3-dimethylpent-1-en-2-yl)-N'-(2-methylbutan-2-yl)ethane-1,2-diamine

C14H30N2 — CID 89100894

IUPACN-(3,3-dimethylpent-1-en-2-yl)-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESC=C(NCCNC(C)(C)CC)C(C)(C)CC
InChIInChI=1S/C14H30N2/c1-8-13(4,5)12(3)15-10-11-16-14(6,7)9-2/h15-16H,3,8-11H2,1-2,4-7H3
InChIKeyOVVNLCUQUCBEQU-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.30
Rot. Bonds8

About N-(3,3-dimethylpent-1-en-2-yl)-N'-(2-methylbutan-2-yl)ethane-1,2-diamine

N-(3,3-dimethylpent-1-en-2-yl)-N'-(2-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 89100894) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-(3,3-dimethylpent-1-en-2-yl)-N'-(2-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,3-dimethylpent-1-en-2-yl)-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID89100894
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-(3,3-dimethylpent-1-en-2-yl)-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESC=C(NCCNC(C)(C)CC)C(C)(C)CC
InChIInChI=1S/C14H30N2/c1-8-13(4,5)12(3)15-10-11-16-14(6,7)9-2/h15-16H,3,8-11H2,1-2,4-7H3
InChIKeyOVVNLCUQUCBEQU-UHFFFAOYSA-N
XLogP3.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylpent-1-en-2-yl)-N'-(2-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(3,3-dimethylpent-1-en-2-yl)-N'-(2-methylbutan-2-yl)ethane-1,2-diamine (CID 89100894) is N-(3,3-dimethylpent-1-en-2-yl)-N'-(2-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3,3-dimethylpent-1-en-2-yl)-N'-(2-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3,3-dimethylpent-1-en-2-yl)-N'-(2-methylbutan-2-yl)ethane-1,2-diamine is C=C(NCCNC(C)(C)CC)C(C)(C)CC.
What is the InChIKey of N-(3,3-dimethylpent-1-en-2-yl)-N'-(2-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is OVVNLCUQUCBEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-8-13(4,5)12(3)15-10-11-16-14(6,7)9-2/h15-16H,3,8-11H2,1-2,4-7H3.
What are the key properties of N-(3,3-dimethylpent-1-en-2-yl)-N'-(2-methylbutan-2-yl)ethane-1,2-diamine?
N-(3,3-dimethylpent-1-en-2-yl)-N'-(2-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylpent-1-en-2-yl)-N'-(2-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 89100894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).