(Z)-2-methyl-4-(methyliminomethyl)-N-(2-methylpent-1-en-3-yl)hex-4-en-1-amine

C15H28N2 — CID 134339579

IUPAC(Z)-2-methyl-4-(methyliminomethyl)-N-(2-methylpent-1-en-3-yl)hex-4-en-1-amine
SMILESC=C(C)C(CC)NCC(C)CC(=C/C)/C=N/C
InChIInChI=1S/C15H28N2/c1-7-14(11-16-6)9-13(5)10-17-15(8-2)12(3)4/h7,11,13,15,17H,3,8-10H2,1-2,4-6H3/b14-7-,16-11+
InChIKeyJYUDSPLCRWRQKW-SHHKCHCPSA-N
MW236.40 g/mol
LogP3.60
Rot. Bonds8

About (Z)-2-methyl-4-(methyliminomethyl)-N-(2-methylpent-1-en-3-yl)hex-4-en-1-amine

(Z)-2-methyl-4-(methyliminomethyl)-N-(2-methylpent-1-en-3-yl)hex-4-en-1-amine (PubChem CID 134339579) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (Z)-2-methyl-4-(methyliminomethyl)-N-(2-methylpent-1-en-3-yl)hex-4-en-1-amine.

Molecular Properties

Compound Name(Z)-2-methyl-4-(methyliminomethyl)-N-(2-methylpent-1-en-3-yl)hex-4-en-1-amine
PubChem CID134339579
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(Z)-2-methyl-4-(methyliminomethyl)-N-(2-methylpent-1-en-3-yl)hex-4-en-1-amine
SMILESC=C(C)C(CC)NCC(C)CC(=C/C)/C=N/C
InChIInChI=1S/C15H28N2/c1-7-14(11-16-6)9-13(5)10-17-15(8-2)12(3)4/h7,11,13,15,17H,3,8-10H2,1-2,4-6H3/b14-7-,16-11+
InChIKeyJYUDSPLCRWRQKW-SHHKCHCPSA-N
XLogP3.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-4-(methyliminomethyl)-N-(2-methylpent-1-en-3-yl)hex-4-en-1-amine?
The IUPAC name of (Z)-2-methyl-4-(methyliminomethyl)-N-(2-methylpent-1-en-3-yl)hex-4-en-1-amine (CID 134339579) is (Z)-2-methyl-4-(methyliminomethyl)-N-(2-methylpent-1-en-3-yl)hex-4-en-1-amine.
What is the SMILES notation for (Z)-2-methyl-4-(methyliminomethyl)-N-(2-methylpent-1-en-3-yl)hex-4-en-1-amine?
The canonical SMILES for (Z)-2-methyl-4-(methyliminomethyl)-N-(2-methylpent-1-en-3-yl)hex-4-en-1-amine is C=C(C)C(CC)NCC(C)CC(=C/C)/C=N/C.
What is the InChIKey of (Z)-2-methyl-4-(methyliminomethyl)-N-(2-methylpent-1-en-3-yl)hex-4-en-1-amine?
The InChIKey is JYUDSPLCRWRQKW-SHHKCHCPSA-N. The full InChI is InChI=1S/C15H28N2/c1-7-14(11-16-6)9-13(5)10-17-15(8-2)12(3)4/h7,11,13,15,17H,3,8-10H2,1-2,4-6H3/b14-7-,16-11+.
What are the key properties of (Z)-2-methyl-4-(methyliminomethyl)-N-(2-methylpent-1-en-3-yl)hex-4-en-1-amine?
(Z)-2-methyl-4-(methyliminomethyl)-N-(2-methylpent-1-en-3-yl)hex-4-en-1-amine has a molecular weight of 236.40 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-4-(methyliminomethyl)-N-(2-methylpent-1-en-3-yl)hex-4-en-1-amine is sourced from PubChem (CID 134339579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).