2-methyl-N-[(Z,4R)-2,2,4-trimethylhept-5-en-3-yl]butan-1-imine

C15H29N — CID 174148404

IUPAC2-methyl-N-[(Z,4R)-2,2,4-trimethylhept-5-en-3-yl]butan-1-imine
SMILESC/C=C\[C@@H](C)C(/N=C/C(C)CC)C(C)(C)C
InChIInChI=1S/C15H29N/c1-8-10-13(4)14(15(5,6)7)16-11-12(3)9-2/h8,10-14H,9H2,1-7H3/b10-8-,16-11+/t12?,13-,14?/m1/s1
InChIKeyIMCFUGJNMVGDCI-XPASLPIQSA-N
MW223.40 g/mol
LogP4.73
Rot. Bonds5

About 2-methyl-N-[(Z,4R)-2,2,4-trimethylhept-5-en-3-yl]butan-1-imine

2-methyl-N-[(Z,4R)-2,2,4-trimethylhept-5-en-3-yl]butan-1-imine (PubChem CID 174148404) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 2-methyl-N-[(Z,4R)-2,2,4-trimethylhept-5-en-3-yl]butan-1-imine.

Molecular Properties

Compound Name2-methyl-N-[(Z,4R)-2,2,4-trimethylhept-5-en-3-yl]butan-1-imine
PubChem CID174148404
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name2-methyl-N-[(Z,4R)-2,2,4-trimethylhept-5-en-3-yl]butan-1-imine
SMILESC/C=C\[C@@H](C)C(/N=C/C(C)CC)C(C)(C)C
InChIInChI=1S/C15H29N/c1-8-10-13(4)14(15(5,6)7)16-11-12(3)9-2/h8,10-14H,9H2,1-7H3/b10-8-,16-11+/t12?,13-,14?/m1/s1
InChIKeyIMCFUGJNMVGDCI-XPASLPIQSA-N
XLogP4.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-methyl-N-[(Z,4R)-2,2,4-trimethylhept-5-en-3-yl]butan-1-imine?
The IUPAC name of 2-methyl-N-[(Z,4R)-2,2,4-trimethylhept-5-en-3-yl]butan-1-imine (CID 174148404) is 2-methyl-N-[(Z,4R)-2,2,4-trimethylhept-5-en-3-yl]butan-1-imine.
What is the SMILES notation for 2-methyl-N-[(Z,4R)-2,2,4-trimethylhept-5-en-3-yl]butan-1-imine?
The canonical SMILES for 2-methyl-N-[(Z,4R)-2,2,4-trimethylhept-5-en-3-yl]butan-1-imine is C/C=C\[C@@H](C)C(/N=C/C(C)CC)C(C)(C)C.
What is the InChIKey of 2-methyl-N-[(Z,4R)-2,2,4-trimethylhept-5-en-3-yl]butan-1-imine?
The InChIKey is IMCFUGJNMVGDCI-XPASLPIQSA-N. The full InChI is InChI=1S/C15H29N/c1-8-10-13(4)14(15(5,6)7)16-11-12(3)9-2/h8,10-14H,9H2,1-7H3/b10-8-,16-11+/t12?,13-,14?/m1/s1.
What are the key properties of 2-methyl-N-[(Z,4R)-2,2,4-trimethylhept-5-en-3-yl]butan-1-imine?
2-methyl-N-[(Z,4R)-2,2,4-trimethylhept-5-en-3-yl]butan-1-imine has a molecular weight of 223.40 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z,4R)-2,2,4-trimethylhept-5-en-3-yl]butan-1-imine is sourced from PubChem (CID 174148404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).