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

C16H33N — CID 54219043

IUPACN-(2-methylhex-3-en-2-yl)nonan-1-amine
SMILESCCC=CC(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
InChIKeySRUITTWHJATLIU-UHFFFAOYSA-N
MW239.45 g/mol
LogP5.07
Rot. Bonds11

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

N-(2-methylhex-3-en-2-yl)nonan-1-amine (PubChem CID 54219043) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-(2-methylhex-3-en-2-yl)nonan-1-amine.

Molecular Properties

Compound NameN-(2-methylhex-3-en-2-yl)nonan-1-amine
PubChem CID54219043
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-(2-methylhex-3-en-2-yl)nonan-1-amine
SMILESCCC=CC(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
InChIKeySRUITTWHJATLIU-UHFFFAOYSA-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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Related Compounds

N-(2-methylbut-3-en-2-yl)octadecan-1-amine;hydrochloride
CID 173339129
N-[2-(decylamino)-2-methylpropylidene]hydroxylamine
CID 74895396
N-tert-butylnonadecan-1-amine
CID 87846739
N-(1,1,2,2,2-pentafluoroethyl)dodecan-1-amine
CID 175131707
1-(dodecylamino)ethane-1,1-diol
CID 23198053
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
1,1-bis(octylamino)ethanol
CID 87347011
N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine
CID 4618605
N-heptyl-5-methylnonan-5-amine
CID 126560493
N-(1-chloro-2-methylpropan-2-yl)hexan-1-amine
CID 65026682
2-methyl-2-(nonylamino)propanoic acid
CID 65263943

Frequently Asked Questions

What is the IUPAC name of N-(2-methylhex-3-en-2-yl)nonan-1-amine?
The IUPAC name of N-(2-methylhex-3-en-2-yl)nonan-1-amine (CID 54219043) is N-(2-methylhex-3-en-2-yl)nonan-1-amine.
What is the SMILES notation for N-(2-methylhex-3-en-2-yl)nonan-1-amine?
The canonical SMILES for N-(2-methylhex-3-en-2-yl)nonan-1-amine is CCC=CC(C)(C)NCCCCCCCCC.
What is the InChIKey of N-(2-methylhex-3-en-2-yl)nonan-1-amine?
The InChIKey is SRUITTWHJATLIU-UHFFFAOYSA-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.
What are the key properties of N-(2-methylhex-3-en-2-yl)nonan-1-amine?
N-(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-(2-methylhex-3-en-2-yl)nonan-1-amine is sourced from PubChem (CID 54219043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).