N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]propan-2-amine

C16H33N — CID 114229670

IUPACN-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]propan-2-amine
SMILESCCCCCCC1(C)C(CNC(C)C)C1(C)C
InChIInChI=1S/C16H33N/c1-7-8-9-10-11-16(6)14(15(16,4)5)12-17-13(2)3/h13-14,17H,7-12H2,1-6H3
InChIKeyZUPYFPHYNJEAOA-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.62
Rot. Bonds8

About N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]propan-2-amine

N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]propan-2-amine (PubChem CID 114229670) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]propan-2-amine
PubChem CID114229670
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]propan-2-amine
SMILESCCCCCCC1(C)C(CNC(C)C)C1(C)C
InChIInChI=1S/C16H33N/c1-7-8-9-10-11-16(6)14(15(16,4)5)12-17-13(2)3/h13-14,17H,7-12H2,1-6H3
InChIKeyZUPYFPHYNJEAOA-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]-2-methylpropan-2-amine
CID 114229800
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-2-amine
CID 66475743
N-[(1-dodecylcyclobutyl)methyl]propan-2-amine
CID 65194668
N-[(1-decylcyclohexyl)methyl]propan-2-amine
CID 63507131
fluoromethane;N-propan-2-ylhexan-1-amine
CID 171626710
N-propan-2-ylicosan-1-amine
CID 87246132
N-[(4-nonyloxan-4-yl)methyl]propan-2-amine
CID 63502493
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
molecular hydrogen;N-propan-2-ylnonan-1-amine
CID 166461486
N-[(1-heptylpiperidin-4-yl)methyl]propan-2-amine
CID 62591501
N-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine
CID 81034416
N-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine
CID 81031373

Frequently Asked Questions

What is the IUPAC name of N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]propan-2-amine (CID 114229670) is N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]propan-2-amine is CCCCCCC1(C)C(CNC(C)C)C1(C)C.
What is the InChIKey of N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]propan-2-amine?
The InChIKey is ZUPYFPHYNJEAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-7-8-9-10-11-16(6)14(15(16,4)5)12-17-13(2)3/h13-14,17H,7-12H2,1-6H3.
What are the key properties of N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]propan-2-amine?
N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]propan-2-amine has a molecular weight of 239.45 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]propan-2-amine is sourced from PubChem (CID 114229670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).