N-[(E)-2-methylhex-3-en-2-yl]nonan-1-amine

C16H33N — CID 19893543

IUPACN-[(E)-2-methylhex-3-en-2-yl]nonan-1-amine
SMILESCC/C=C/C(C)(C)NCCCCCCCCC
InChIInChI=1S/C16H33N/c1-5-7-9-10-11-12-13-15-17-16(3,4)14-8-6-2/h8,14,17H,5-7,9-13,15H2,1-4H3/b14-8+
InChIKeySRUITTWHJATLIU-RIYZIHGNSA-N
MW239.45 g/mol
LogP5.07
Rot. Bonds11

About N-[(E)-2-methylhex-3-en-2-yl]nonan-1-amine

N-[(E)-2-methylhex-3-en-2-yl]nonan-1-amine (PubChem CID 19893543) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-[(E)-2-methylhex-3-en-2-yl]nonan-1-amine.

Molecular Properties

Compound NameN-[(E)-2-methylhex-3-en-2-yl]nonan-1-amine
PubChem CID19893543
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-[(E)-2-methylhex-3-en-2-yl]nonan-1-amine
SMILESCC/C=C/C(C)(C)NCCCCCCCCC
InChIInChI=1S/C16H33N/c1-5-7-9-10-11-12-13-15-17-16(3,4)14-8-6-2/h8,14,17H,5-7,9-13,15H2,1-4H3/b14-8+
InChIKeySRUITTWHJATLIU-RIYZIHGNSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-methylhex-3-en-2-yl]nonan-1-amine?
The IUPAC name of N-[(E)-2-methylhex-3-en-2-yl]nonan-1-amine (CID 19893543) is N-[(E)-2-methylhex-3-en-2-yl]nonan-1-amine.
What is the SMILES notation for N-[(E)-2-methylhex-3-en-2-yl]nonan-1-amine?
The canonical SMILES for N-[(E)-2-methylhex-3-en-2-yl]nonan-1-amine is CC/C=C/C(C)(C)NCCCCCCCCC.
What is the InChIKey of N-[(E)-2-methylhex-3-en-2-yl]nonan-1-amine?
The InChIKey is SRUITTWHJATLIU-RIYZIHGNSA-N. The full InChI is InChI=1S/C16H33N/c1-5-7-9-10-11-12-13-15-17-16(3,4)14-8-6-2/h8,14,17H,5-7,9-13,15H2,1-4H3/b14-8+.
What are the key properties of N-[(E)-2-methylhex-3-en-2-yl]nonan-1-amine?
N-[(E)-2-methylhex-3-en-2-yl]nonan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 5.07, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methylhex-3-en-2-yl]nonan-1-amine is sourced from PubChem (CID 19893543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).