1-N-[(Z)-3-but-3-enyl-5-methyloct-6-en-2-yl]-1-N'-oct-7-en-3-ylethene-1,1-diamine

C23H42N2 — CID 143362035

IUPAC1-N-[(Z)-3-but-3-enyl-5-methyloct-6-en-2-yl]-1-N'-oct-7-en-3-ylethene-1,1-diamine
SMILESC=CCCCC(CC)NC(=C)NC(C)C(CCC=C)CC(C)/C=C\C
InChIInChI=1S/C23H42N2/c1-8-12-14-17-23(11-4)25-21(7)24-20(6)22(16-13-9-2)18-19(5)15-10-3/h8-10,15,19-20,22-25H,1-2,7,11-14,16-18H2,3-6H3/b15-10-
InChIKeyGIFRQYZMLCBAMF-GDNBJRDFSA-N
MW346.60 g/mol
LogP6.34
Rot. Bonds16

About 1-N-[(Z)-3-but-3-enyl-5-methyloct-6-en-2-yl]-1-N'-oct-7-en-3-ylethene-1,1-diamine

1-N-[(Z)-3-but-3-enyl-5-methyloct-6-en-2-yl]-1-N'-oct-7-en-3-ylethene-1,1-diamine (PubChem CID 143362035) has the molecular formula C23H42N2 and a molecular weight of 346.60 g/mol. Its IUPAC name is 1-N-[(Z)-3-but-3-enyl-5-methyloct-6-en-2-yl]-1-N'-oct-7-en-3-ylethene-1,1-diamine.

Molecular Properties

Compound Name1-N-[(Z)-3-but-3-enyl-5-methyloct-6-en-2-yl]-1-N'-oct-7-en-3-ylethene-1,1-diamine
PubChem CID143362035
Molecular FormulaC23H42N2
Molecular Weight346.60 g/mol
Exact Mass346.33
IUPAC Name1-N-[(Z)-3-but-3-enyl-5-methyloct-6-en-2-yl]-1-N'-oct-7-en-3-ylethene-1,1-diamine
SMILESC=CCCCC(CC)NC(=C)NC(C)C(CCC=C)CC(C)/C=C\C
InChIInChI=1S/C23H42N2/c1-8-12-14-17-23(11-4)25-21(7)24-20(6)22(16-13-9-2)18-19(5)15-10-3/h8-10,15,19-20,22-25H,1-2,7,11-14,16-18H2,3-6H3/b15-10-
InChIKeyGIFRQYZMLCBAMF-GDNBJRDFSA-N
XLogP6.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-[(Z)-3-but-3-enyl-5-methyloct-6-en-2-yl]-1-N'-oct-7-en-3-ylethene-1,1-diamine with MolForge

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Launch Full Analysis

Related Compounds

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(9E)-2-methyl-1-azacycloheptadec-9-ene;9-(3-methylbutyl)-azacycloheptadecane
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CID 89318030
N'-but-3-en-2-yl-N-(2-but-2-enyl-3-ethylhex-4-enyl)methanediamine
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CID 123881370
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Frequently Asked Questions

What is the IUPAC name of 1-N-[(Z)-3-but-3-enyl-5-methyloct-6-en-2-yl]-1-N'-oct-7-en-3-ylethene-1,1-diamine?
The IUPAC name of 1-N-[(Z)-3-but-3-enyl-5-methyloct-6-en-2-yl]-1-N'-oct-7-en-3-ylethene-1,1-diamine (CID 143362035) is 1-N-[(Z)-3-but-3-enyl-5-methyloct-6-en-2-yl]-1-N'-oct-7-en-3-ylethene-1,1-diamine.
What is the SMILES notation for 1-N-[(Z)-3-but-3-enyl-5-methyloct-6-en-2-yl]-1-N'-oct-7-en-3-ylethene-1,1-diamine?
The canonical SMILES for 1-N-[(Z)-3-but-3-enyl-5-methyloct-6-en-2-yl]-1-N'-oct-7-en-3-ylethene-1,1-diamine is C=CCCCC(CC)NC(=C)NC(C)C(CCC=C)CC(C)/C=C\C.
What is the InChIKey of 1-N-[(Z)-3-but-3-enyl-5-methyloct-6-en-2-yl]-1-N'-oct-7-en-3-ylethene-1,1-diamine?
The InChIKey is GIFRQYZMLCBAMF-GDNBJRDFSA-N. The full InChI is InChI=1S/C23H42N2/c1-8-12-14-17-23(11-4)25-21(7)24-20(6)22(16-13-9-2)18-19(5)15-10-3/h8-10,15,19-20,22-25H,1-2,7,11-14,16-18H2,3-6H3/b15-10-.
What are the key properties of 1-N-[(Z)-3-but-3-enyl-5-methyloct-6-en-2-yl]-1-N'-oct-7-en-3-ylethene-1,1-diamine?
1-N-[(Z)-3-but-3-enyl-5-methyloct-6-en-2-yl]-1-N'-oct-7-en-3-ylethene-1,1-diamine has a molecular weight of 346.60 g/mol, XLogP of 6.34, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(Z)-3-but-3-enyl-5-methyloct-6-en-2-yl]-1-N'-oct-7-en-3-ylethene-1,1-diamine is sourced from PubChem (CID 143362035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).