2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine

C18H37N — CID 65194168

IUPAC2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine
SMILESCCCCCCCCCC1(CNC(C)(C)C)CCC1
InChIInChI=1S/C18H37N/c1-5-6-7-8-9-10-11-13-18(14-12-15-18)16-19-17(2,3)4/h19H,5-16H2,1-4H3
InChIKeyQKWSBYLCWYBWIK-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.69
Rot. Bonds10

About 2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine

2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine (PubChem CID 65194168) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine
PubChem CID65194168
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine
SMILESCCCCCCCCCC1(CNC(C)(C)C)CCC1
InChIInChI=1S/C18H37N/c1-5-6-7-8-9-10-11-13-18(14-12-15-18)16-19-17(2,3)4/h19H,5-16H2,1-4H3
InChIKeyQKWSBYLCWYBWIK-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-octylcyclobutyl)methyl]ethanamine
CID 65194537
N-[(1-dodecylcyclobutyl)methyl]propan-2-amine
CID 65194668
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1,1-di(nonyl)cyclopentane
CID 154318487
N-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65195011
N-[(1-hexylcyclohexyl)methyl]propan-1-amine
CID 63508687
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine
CID 55051857
2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine
CID 63476269
N-[(1-hexylcyclopropyl)methyl]propan-1-amine
CID 66026661
N-[(1-nonylcyclopropyl)methyl]propan-1-amine
CID 66025330
N-methyl-1-(1-pentylcyclohexyl)methanamine
CID 62725569

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine (CID 65194168) is 2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine is CCCCCCCCCC1(CNC(C)(C)C)CCC1.
What is the InChIKey of 2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine?
The InChIKey is QKWSBYLCWYBWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-5-6-7-8-9-10-11-13-18(14-12-15-18)16-19-17(2,3)4/h19H,5-16H2,1-4H3.
What are the key properties of 2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine?
2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine has a molecular weight of 267.50 g/mol, XLogP of 5.69, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine is sourced from PubChem (CID 65194168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).