2-N-(3-cyclopentylbut-3-enyl)butane-1,2-diamine;ethane;ethene

C17H36N2 — CID 145116718

IUPAC2-N-(3-cyclopentylbut-3-enyl)butane-1,2-diamine;ethane;ethene
SMILESC=C.C=C(CCNC(CC)CN)C1CCCC1.CC
InChIInChI=1S/C13H26N2.C2H6.C2H4/c1-3-13(10-14)15-9-8-11(2)12-6-4-5-7-12;2*1-2/h12-13,15H,2-10,14H2,1H3;1-2H3;1-2H2
InChIKeyLRAKTRBCSMRRAH-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.28
Rot. Bonds7

About 2-N-(3-cyclopentylbut-3-enyl)butane-1,2-diamine;ethane;ethene

2-N-(3-cyclopentylbut-3-enyl)butane-1,2-diamine;ethane;ethene (PubChem CID 145116718) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-N-(3-cyclopentylbut-3-enyl)butane-1,2-diamine;ethane;ethene.

Molecular Properties

Compound Name2-N-(3-cyclopentylbut-3-enyl)butane-1,2-diamine;ethane;ethene
PubChem CID145116718
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-N-(3-cyclopentylbut-3-enyl)butane-1,2-diamine;ethane;ethene
SMILESC=C.C=C(CCNC(CC)CN)C1CCCC1.CC
InChIInChI=1S/C13H26N2.C2H6.C2H4/c1-3-13(10-14)15-9-8-11(2)12-6-4-5-7-12;2*1-2/h12-13,15H,2-10,14H2,1H3;1-2H3;1-2H2
InChIKeyLRAKTRBCSMRRAH-UHFFFAOYSA-N
XLogP4.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-cyclopentylbut-3-enyl)butane-1,2-diamine;ethane;ethene?
The IUPAC name of 2-N-(3-cyclopentylbut-3-enyl)butane-1,2-diamine;ethane;ethene (CID 145116718) is 2-N-(3-cyclopentylbut-3-enyl)butane-1,2-diamine;ethane;ethene.
What is the SMILES notation for 2-N-(3-cyclopentylbut-3-enyl)butane-1,2-diamine;ethane;ethene?
The canonical SMILES for 2-N-(3-cyclopentylbut-3-enyl)butane-1,2-diamine;ethane;ethene is C=C.C=C(CCNC(CC)CN)C1CCCC1.CC.
What is the InChIKey of 2-N-(3-cyclopentylbut-3-enyl)butane-1,2-diamine;ethane;ethene?
The InChIKey is LRAKTRBCSMRRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C2H6.C2H4/c1-3-13(10-14)15-9-8-11(2)12-6-4-5-7-12;2*1-2/h12-13,15H,2-10,14H2,1H3;1-2H3;1-2H2.
What are the key properties of 2-N-(3-cyclopentylbut-3-enyl)butane-1,2-diamine;ethane;ethene?
2-N-(3-cyclopentylbut-3-enyl)butane-1,2-diamine;ethane;ethene has a molecular weight of 268.49 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-cyclopentylbut-3-enyl)butane-1,2-diamine;ethane;ethene is sourced from PubChem (CID 145116718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).