(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine;ethene

C15H33N3 — CID 143907008

IUPAC(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine;ethene
SMILESC=C.CCCCCC/C(N)=C/N(N)CCC(C)C
InChIInChI=1S/C13H29N3.C2H4/c1-4-5-6-7-8-13(14)11-16(15)10-9-12(2)3;1-2/h11-12H,4-10,14-15H2,1-3H3;1-2H2/b13-11-;
InChIKeyRHWDBXQJQXOSSB-KEHAOADBSA-N
MW255.45 g/mol
LogP3.78
Rot. Bonds9

About (Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine;ethene

(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine;ethene (PubChem CID 143907008) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is (Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine;ethene.

Molecular Properties

Compound Name(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine;ethene
PubChem CID143907008
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine;ethene
SMILESC=C.CCCCCC/C(N)=C/N(N)CCC(C)C
InChIInChI=1S/C13H29N3.C2H4/c1-4-5-6-7-8-13(14)11-16(15)10-9-12(2)3;1-2/h11-12H,4-10,14-15H2,1-3H3;1-2H2/b13-11-;
InChIKeyRHWDBXQJQXOSSB-KEHAOADBSA-N
XLogP3.78
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.78
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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Related Compounds

4-Hexyl-3-(3-methylbutyl)-1,2-dihydrotriazole
CID 68364198
(Z)-2-[amino(5-methylhexyl)amino]-6-methylhept-1-en-1-amine
CID 134358830
(Z)-1-[amino(pentyl)amino]pent-1-en-2-amine
CID 137455330
(Z)-1-[amino(butyl)amino]-5-methylhex-1-en-2-amine
CID 143646889
(Z)-1-[amino(butyl)amino]oct-1-en-2-amine;ethene
CID 143876797
Ethane;5-hexyl-3-propyl-1,2-dihydrotriazole
CID 143907003
N-[(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-yl]methanimine
CID 143961636
N-[(Z)-1-[amino(4-methylpentyl)amino]oct-1-en-2-yl]methanimine;ethane;methanimine
CID 143961676
(Z)-1-[amino(pentyl)amino]oct-1-en-2-amine;ethane;ethene
CID 144029139
(Z)-5-[amino(hexyl)amino]pent-4-ene-1,4-diamine;ethane;ethene
CID 144029155
(Z)-1-[amino(hexyl)amino]hex-1-en-2-amine;ethane;ethene
CID 144332499
(Z)-1-[amino(propyl)amino]oct-1-en-2-amine;ethene
CID 144332504

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine;ethene?
The IUPAC name of (Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine;ethene (CID 143907008) is (Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine;ethene.
What is the SMILES notation for (Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine;ethene?
The canonical SMILES for (Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine;ethene is C=C.CCCCCC/C(N)=C/N(N)CCC(C)C.
What is the InChIKey of (Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine;ethene?
The InChIKey is RHWDBXQJQXOSSB-KEHAOADBSA-N. The full InChI is InChI=1S/C13H29N3.C2H4/c1-4-5-6-7-8-13(14)11-16(15)10-9-12(2)3;1-2/h11-12H,4-10,14-15H2,1-3H3;1-2H2/b13-11-;.
What are the key properties of (Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine;ethene?
(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine;ethene has a molecular weight of 255.45 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine;ethene is sourced from PubChem (CID 143907008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).