2-N-(1-cyclopentyl-3-methylidenepent-4-en-2-yl)-2-N,3-N-dimethylbut-1-ene-2,3-diamine

C17H30N2 — CID 129172381

IUPAC2-N-(1-cyclopentyl-3-methylidenepent-4-en-2-yl)-2-N,3-N-dimethylbut-1-ene-2,3-diamine
SMILESC=CC(=C)C(CC1CCCC1)N(C)C(=C)C(C)NC
InChIInChI=1S/C17H30N2/c1-7-13(2)17(12-16-10-8-9-11-16)19(6)15(4)14(3)18-5/h7,14,16-18H,1-2,4,8-12H2,3,5-6H3
InChIKeyNTJVZTSMVWQBFP-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.73
Rot. Bonds8

About 2-N-(1-cyclopentyl-3-methylidenepent-4-en-2-yl)-2-N,3-N-dimethylbut-1-ene-2,3-diamine

2-N-(1-cyclopentyl-3-methylidenepent-4-en-2-yl)-2-N,3-N-dimethylbut-1-ene-2,3-diamine (PubChem CID 129172381) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-N-(1-cyclopentyl-3-methylidenepent-4-en-2-yl)-2-N,3-N-dimethylbut-1-ene-2,3-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopentyl-3-methylidenepent-4-en-2-yl)-2-N,3-N-dimethylbut-1-ene-2,3-diamine
PubChem CID129172381
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-N-(1-cyclopentyl-3-methylidenepent-4-en-2-yl)-2-N,3-N-dimethylbut-1-ene-2,3-diamine
SMILESC=CC(=C)C(CC1CCCC1)N(C)C(=C)C(C)NC
InChIInChI=1S/C17H30N2/c1-7-13(2)17(12-16-10-8-9-11-16)19(6)15(4)14(3)18-5/h7,14,16-18H,1-2,4,8-12H2,3,5-6H3
InChIKeyNTJVZTSMVWQBFP-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclopentyl-3-methylidenepent-4-en-2-yl)-2-N,3-N-dimethylbut-1-ene-2,3-diamine?
The IUPAC name of 2-N-(1-cyclopentyl-3-methylidenepent-4-en-2-yl)-2-N,3-N-dimethylbut-1-ene-2,3-diamine (CID 129172381) is 2-N-(1-cyclopentyl-3-methylidenepent-4-en-2-yl)-2-N,3-N-dimethylbut-1-ene-2,3-diamine.
What is the SMILES notation for 2-N-(1-cyclopentyl-3-methylidenepent-4-en-2-yl)-2-N,3-N-dimethylbut-1-ene-2,3-diamine?
The canonical SMILES for 2-N-(1-cyclopentyl-3-methylidenepent-4-en-2-yl)-2-N,3-N-dimethylbut-1-ene-2,3-diamine is C=CC(=C)C(CC1CCCC1)N(C)C(=C)C(C)NC.
What is the InChIKey of 2-N-(1-cyclopentyl-3-methylidenepent-4-en-2-yl)-2-N,3-N-dimethylbut-1-ene-2,3-diamine?
The InChIKey is NTJVZTSMVWQBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-7-13(2)17(12-16-10-8-9-11-16)19(6)15(4)14(3)18-5/h7,14,16-18H,1-2,4,8-12H2,3,5-6H3.
What are the key properties of 2-N-(1-cyclopentyl-3-methylidenepent-4-en-2-yl)-2-N,3-N-dimethylbut-1-ene-2,3-diamine?
2-N-(1-cyclopentyl-3-methylidenepent-4-en-2-yl)-2-N,3-N-dimethylbut-1-ene-2,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopentyl-3-methylidenepent-4-en-2-yl)-2-N,3-N-dimethylbut-1-ene-2,3-diamine is sourced from PubChem (CID 129172381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).