(Z)-1-[amino(butyl)amino]-5-methylhex-1-en-2-amine

C11H25N3 — CID 143646889

IUPAC(Z)-1-[amino(butyl)amino]-5-methylhex-1-en-2-amine
SMILESCCCCN(N)/C=C(\N)CCC(C)C
InChIInChI=1S/C11H25N3/c1-4-5-8-14(13)9-11(12)7-6-10(2)3/h9-10H,4-8,12-13H2,1-3H3/b11-9-
InChIKeySSDRRSDLVJRBBY-LUAWRHEFSA-N
MW199.34 g/mol
LogP2.20
Rot. Bonds7

About (Z)-1-[amino(butyl)amino]-5-methylhex-1-en-2-amine

(Z)-1-[amino(butyl)amino]-5-methylhex-1-en-2-amine (PubChem CID 143646889) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is (Z)-1-[amino(butyl)amino]-5-methylhex-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino(butyl)amino]-5-methylhex-1-en-2-amine
PubChem CID143646889
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name(Z)-1-[amino(butyl)amino]-5-methylhex-1-en-2-amine
SMILESCCCCN(N)/C=C(\N)CCC(C)C
InChIInChI=1S/C11H25N3/c1-4-5-8-14(13)9-11(12)7-6-10(2)3/h9-10H,4-8,12-13H2,1-3H3/b11-9-
InChIKeySSDRRSDLVJRBBY-LUAWRHEFSA-N
XLogP2.20
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Butyl-3-propyl-1,2-dihydrotriazole
CID 68028400
4-(3-Methylbutyl)-3-(5-methylhexyl)-1,2-dihydrotriazole
CID 70976394
N-[(Z)-2-[amino(hexyl)amino]-5-methylhex-1-enyl]methanimine
CID 88055474
3-Pentyl-5-propyl-1,2-dihydrotriazole
CID 89423625
(Z)-1-N-(methylideneamino)-1-N-(2-methylpropyl)hex-1-ene-1,2-diamine
CID 89423869
5-Butyl-3-pentyl-1,2-dihydrotriazole
CID 126542060
(Z)-2-[amino(butyl)amino]hex-1-en-1-amine
CID 126702764
(Z)-1-[amino(butyl)amino]pent-1-en-2-amine
CID 130350779
(Z)-2-[amino(3-methylbutyl)amino]-1-cyclopropylethenamine
CID 132072810
6-N-ethenyl-2-N,3-dimethylhepta-1,6-diene-2,6-diamine
CID 132134946
5-[amino-[(Z)-2-aminopent-1-enyl]amino]hex-1-en-2-amine
CID 132135303
(Z)-6-methyl-1-N-(methylideneamino)-1-N-propylhept-1-ene-1,2-diamine
CID 134358829

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(butyl)amino]-5-methylhex-1-en-2-amine?
The IUPAC name of (Z)-1-[amino(butyl)amino]-5-methylhex-1-en-2-amine (CID 143646889) is (Z)-1-[amino(butyl)amino]-5-methylhex-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino(butyl)amino]-5-methylhex-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino(butyl)amino]-5-methylhex-1-en-2-amine is CCCCN(N)/C=C(\N)CCC(C)C.
What is the InChIKey of (Z)-1-[amino(butyl)amino]-5-methylhex-1-en-2-amine?
The InChIKey is SSDRRSDLVJRBBY-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H25N3/c1-4-5-8-14(13)9-11(12)7-6-10(2)3/h9-10H,4-8,12-13H2,1-3H3/b11-9-.
What are the key properties of (Z)-1-[amino(butyl)amino]-5-methylhex-1-en-2-amine?
(Z)-1-[amino(butyl)amino]-5-methylhex-1-en-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.20, 7 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]-5-methylhex-1-en-2-amine is sourced from PubChem (CID 143646889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).