(Z)-1-[amino(butyl)amino]oct-1-en-2-amine;ethene

C14H31N3 — CID 143876797

IUPAC(Z)-1-[amino(butyl)amino]oct-1-en-2-amine;ethene
SMILESC=C.CCCCCC/C(N)=C/N(N)CCCC
InChIInChI=1S/C12H27N3.C2H4/c1-3-5-7-8-9-12(13)11-15(14)10-6-4-2;1-2/h11H,3-10,13-14H2,1-2H3;1-2H2/b12-11-;
InChIKeyWOHINJULCZXNPW-AFEZEDKISA-N
MW241.42 g/mol
LogP3.53
Rot. Bonds9

About (Z)-1-[amino(butyl)amino]oct-1-en-2-amine;ethene

(Z)-1-[amino(butyl)amino]oct-1-en-2-amine;ethene (PubChem CID 143876797) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is (Z)-1-[amino(butyl)amino]oct-1-en-2-amine;ethene.

Molecular Properties

Compound Name(Z)-1-[amino(butyl)amino]oct-1-en-2-amine;ethene
PubChem CID143876797
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name(Z)-1-[amino(butyl)amino]oct-1-en-2-amine;ethene
SMILESC=C.CCCCCC/C(N)=C/N(N)CCCC
InChIInChI=1S/C12H27N3.C2H4/c1-3-5-7-8-9-12(13)11-15(14)10-6-4-2;1-2/h11H,3-10,13-14H2,1-2H3;1-2H2/b12-11-;
InChIKeyWOHINJULCZXNPW-AFEZEDKISA-N
XLogP3.53
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(butyl)amino]oct-1-en-2-amine;ethene?
The IUPAC name of (Z)-1-[amino(butyl)amino]oct-1-en-2-amine;ethene (CID 143876797) is (Z)-1-[amino(butyl)amino]oct-1-en-2-amine;ethene.
What is the SMILES notation for (Z)-1-[amino(butyl)amino]oct-1-en-2-amine;ethene?
The canonical SMILES for (Z)-1-[amino(butyl)amino]oct-1-en-2-amine;ethene is C=C.CCCCCC/C(N)=C/N(N)CCCC.
What is the InChIKey of (Z)-1-[amino(butyl)amino]oct-1-en-2-amine;ethene?
The InChIKey is WOHINJULCZXNPW-AFEZEDKISA-N. The full InChI is InChI=1S/C12H27N3.C2H4/c1-3-5-7-8-9-12(13)11-15(14)10-6-4-2;1-2/h11H,3-10,13-14H2,1-2H3;1-2H2/b12-11-;.
What are the key properties of (Z)-1-[amino(butyl)amino]oct-1-en-2-amine;ethene?
(Z)-1-[amino(butyl)amino]oct-1-en-2-amine;ethene has a molecular weight of 241.42 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(butyl)amino]oct-1-en-2-amine;ethene is sourced from PubChem (CID 143876797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).