(Z)-1-[amino(hexyl)amino]pent-1-en-2-amine

C11H25N3 — CID 145052913

IUPAC(Z)-1-[amino(hexyl)amino]pent-1-en-2-amine
SMILESCCCCCCN(N)/C=C(\N)CCC
InChIInChI=1S/C11H25N3/c1-3-5-6-7-9-14(13)10-11(12)8-4-2/h10H,3-9,12-13H2,1-2H3/b11-10-
InChIKeyUAMVIJMYJDZRNH-KHPPLWFESA-N
MW199.34 g/mol
LogP2.34
Rot. Bonds8

About (Z)-1-[amino(hexyl)amino]pent-1-en-2-amine

(Z)-1-[amino(hexyl)amino]pent-1-en-2-amine (PubChem CID 145052913) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is (Z)-1-[amino(hexyl)amino]pent-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino(hexyl)amino]pent-1-en-2-amine
PubChem CID145052913
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name(Z)-1-[amino(hexyl)amino]pent-1-en-2-amine
SMILESCCCCCCN(N)/C=C(\N)CCC
InChIInChI=1S/C11H25N3/c1-3-5-6-7-9-14(13)10-11(12)8-4-2/h10H,3-9,12-13H2,1-2H3/b11-10-
InChIKeyUAMVIJMYJDZRNH-KHPPLWFESA-N
XLogP2.34
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.34
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': '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(pentyl)amino]oct-1-en-2-amine;ethene
CID 145271170
(Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine;ethane
CID 171532216
(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine
CID 143907009
(Z)-4-[amino-(6-cyclobutylidene-6-undecan-6-yloxyhexyl)amino]but-3-ene-1,3-diamine
CID 177012712
N-[(Z)-1-[amino(butyl)amino]hex-1-en-2-yl]methanimine
CID 145374440
dec-2-en-3-amine
CID 154268798
(Z)-nonadec-2-en-3-amine
CID 139654417
(Z)-4-[amino(ethyl)amino]but-3-ene-1,3-diamine
CID 171644196
(E)-dec-1-ene-1,2-diamine
CID 87327630
N-amino-N-heptylhydroxylamine;molecular hydrogen
CID 143337446
N-[6-[[(Z)-2-amino-3-[amino(pentyl)amino]prop-2-enoyl]amino]hexyl]-3-methylbutanamide
CID 171554404

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(hexyl)amino]pent-1-en-2-amine?
The IUPAC name of (Z)-1-[amino(hexyl)amino]pent-1-en-2-amine (CID 145052913) is (Z)-1-[amino(hexyl)amino]pent-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino(hexyl)amino]pent-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino(hexyl)amino]pent-1-en-2-amine is CCCCCCN(N)/C=C(\N)CCC.
What is the InChIKey of (Z)-1-[amino(hexyl)amino]pent-1-en-2-amine?
The InChIKey is UAMVIJMYJDZRNH-KHPPLWFESA-N. The full InChI is InChI=1S/C11H25N3/c1-3-5-6-7-9-14(13)10-11(12)8-4-2/h10H,3-9,12-13H2,1-2H3/b11-10-.
What are the key properties of (Z)-1-[amino(hexyl)amino]pent-1-en-2-amine?
(Z)-1-[amino(hexyl)amino]pent-1-en-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(hexyl)amino]pent-1-en-2-amine is sourced from PubChem (CID 145052913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).