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

C15H33N3 — CID 145271170

IUPAC(Z)-1-[amino(pentyl)amino]oct-1-en-2-amine;ethene
SMILESC=C.CCCCCC/C(N)=C/N(N)CCCCC
InChIInChI=1S/C13H29N3.C2H4/c1-3-5-7-8-10-13(14)12-16(15)11-9-6-4-2;1-2/h12H,3-11,14-15H2,1-2H3;1-2H2/b13-12-;
InChIKeySQQRLSSZAHFROI-USGGBSEESA-N
MW255.45 g/mol
LogP3.92
Rot. Bonds10

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

(Z)-1-[amino(pentyl)amino]oct-1-en-2-amine;ethene (PubChem CID 145271170) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is (Z)-1-[amino(pentyl)amino]oct-1-en-2-amine;ethene.

Molecular Properties

Compound Name(Z)-1-[amino(pentyl)amino]oct-1-en-2-amine;ethene
PubChem CID145271170
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name(Z)-1-[amino(pentyl)amino]oct-1-en-2-amine;ethene
SMILESC=C.CCCCCC/C(N)=C/N(N)CCCCC
InChIInChI=1S/C13H29N3.C2H4/c1-3-5-7-8-10-13(14)12-16(15)11-9-6-4-2;1-2/h12H,3-11,14-15H2,1-2H3;1-2H2/b13-12-;
InChIKeySQQRLSSZAHFROI-USGGBSEESA-N
XLogP3.92
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.92
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

(Z)-1-[amino(hexyl)amino]pent-1-en-2-amine;ethene
CID 145052912
(Z)-1-[amino(hexyl)amino]pent-1-en-2-amine
CID 145052913
(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine
CID 143907009
(Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine;ethane
CID 171532216
dec-2-en-3-amine
CID 154268798
(Z)-nonadec-2-en-3-amine
CID 139654417
(E)-dec-1-ene-1,2-diamine
CID 87327630
(Z)-4-[amino-(6-cyclobutylidene-6-undecan-6-yloxyhexyl)amino]but-3-ene-1,3-diamine
CID 177012712
(Z)-dodec-3-en-4-amine
CID 21249690
(E)-octadec-9-en-9-amine
CID 146566069
dodec-2-ene-1,3-diamine
CID 173393775
N-[(Z)-1-[amino(butyl)amino]hex-1-en-2-yl]methanimine
CID 145374440

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(pentyl)amino]oct-1-en-2-amine;ethene?
The IUPAC name of (Z)-1-[amino(pentyl)amino]oct-1-en-2-amine;ethene (CID 145271170) is (Z)-1-[amino(pentyl)amino]oct-1-en-2-amine;ethene.
What is the SMILES notation for (Z)-1-[amino(pentyl)amino]oct-1-en-2-amine;ethene?
The canonical SMILES for (Z)-1-[amino(pentyl)amino]oct-1-en-2-amine;ethene is C=C.CCCCCC/C(N)=C/N(N)CCCCC.
What is the InChIKey of (Z)-1-[amino(pentyl)amino]oct-1-en-2-amine;ethene?
The InChIKey is SQQRLSSZAHFROI-USGGBSEESA-N. The full InChI is InChI=1S/C13H29N3.C2H4/c1-3-5-7-8-10-13(14)12-16(15)11-9-6-4-2;1-2/h12H,3-11,14-15H2,1-2H3;1-2H2/b13-12-;.
What are the key properties of (Z)-1-[amino(pentyl)amino]oct-1-en-2-amine;ethene?
(Z)-1-[amino(pentyl)amino]oct-1-en-2-amine;ethene has a molecular weight of 255.45 g/mol, XLogP of 3.92, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(pentyl)amino]oct-1-en-2-amine;ethene is sourced from PubChem (CID 145271170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).