(Z)-2-N-(methylideneamino)-2-N-(7-methyloctyl)hex-1-ene-1,2-diamine

C16H33N3 — CID 134358903

IUPAC(Z)-2-N-(methylideneamino)-2-N-(7-methyloctyl)hex-1-ene-1,2-diamine
SMILESC=NN(CCCCCCC(C)C)/C(=C\N)CCCC
InChIInChI=1S/C16H33N3/c1-5-6-12-16(14-17)19(18-4)13-10-8-7-9-11-15(2)3/h14-15H,4-13,17H2,1-3H3/b16-14-
InChIKeyKJLBZQOXZNLYLP-PEZBUJJGSA-N
MW267.46 g/mol
LogP4.50
Rot. Bonds12

About (Z)-2-N-(methylideneamino)-2-N-(7-methyloctyl)hex-1-ene-1,2-diamine

(Z)-2-N-(methylideneamino)-2-N-(7-methyloctyl)hex-1-ene-1,2-diamine (PubChem CID 134358903) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is (Z)-2-N-(methylideneamino)-2-N-(7-methyloctyl)hex-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-2-N-(methylideneamino)-2-N-(7-methyloctyl)hex-1-ene-1,2-diamine
PubChem CID134358903
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name(Z)-2-N-(methylideneamino)-2-N-(7-methyloctyl)hex-1-ene-1,2-diamine
SMILESC=NN(CCCCCCC(C)C)/C(=C\N)CCCC
InChIInChI=1S/C16H33N3/c1-5-6-12-16(14-17)19(18-4)13-10-8-7-9-11-15(2)3/h14-15H,4-13,17H2,1-3H3/b16-14-
InChIKeyKJLBZQOXZNLYLP-PEZBUJJGSA-N
XLogP4.50
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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)-2-N-(methylideneamino)-2-N-(7-methyloctyl)hex-1-ene-1,2-diamine?
The IUPAC name of (Z)-2-N-(methylideneamino)-2-N-(7-methyloctyl)hex-1-ene-1,2-diamine (CID 134358903) is (Z)-2-N-(methylideneamino)-2-N-(7-methyloctyl)hex-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-2-N-(methylideneamino)-2-N-(7-methyloctyl)hex-1-ene-1,2-diamine?
The canonical SMILES for (Z)-2-N-(methylideneamino)-2-N-(7-methyloctyl)hex-1-ene-1,2-diamine is C=NN(CCCCCCC(C)C)/C(=C\N)CCCC.
What is the InChIKey of (Z)-2-N-(methylideneamino)-2-N-(7-methyloctyl)hex-1-ene-1,2-diamine?
The InChIKey is KJLBZQOXZNLYLP-PEZBUJJGSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-6-12-16(14-17)19(18-4)13-10-8-7-9-11-15(2)3/h14-15H,4-13,17H2,1-3H3/b16-14-.
What are the key properties of (Z)-2-N-(methylideneamino)-2-N-(7-methyloctyl)hex-1-ene-1,2-diamine?
(Z)-2-N-(methylideneamino)-2-N-(7-methyloctyl)hex-1-ene-1,2-diamine has a molecular weight of 267.46 g/mol, XLogP of 4.50, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-(methylideneamino)-2-N-(7-methyloctyl)hex-1-ene-1,2-diamine is sourced from PubChem (CID 134358903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).