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

C20H41N — CID 65194668

IUPACN-[(1-dodecylcyclobutyl)methyl]propan-2-amine
SMILESCCCCCCCCCCCCC1(CNC(C)C)CCC1
InChIInChI=1S/C20H41N/c1-4-5-6-7-8-9-10-11-12-13-15-20(16-14-17-20)18-21-19(2)3/h19,21H,4-18H2,1-3H3
InChIKeyJFKXRTPGPRRJNV-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.47
Rot. Bonds14

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

N-[(1-dodecylcyclobutyl)methyl]propan-2-amine (PubChem CID 65194668) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is N-[(1-dodecylcyclobutyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-dodecylcyclobutyl)methyl]propan-2-amine
PubChem CID65194668
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC NameN-[(1-dodecylcyclobutyl)methyl]propan-2-amine
SMILESCCCCCCCCCCCCC1(CNC(C)C)CCC1
InChIInChI=1S/C20H41N/c1-4-5-6-7-8-9-10-11-12-13-15-20(16-14-17-20)18-21-19(2)3/h19,21H,4-18H2,1-3H3
InChIKeyJFKXRTPGPRRJNV-UHFFFAOYSA-N
XLogP6.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.47
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-decylcyclohexyl)methyl]propan-2-amine
CID 63507131
N-[(4-nonyloxan-4-yl)methyl]propan-2-amine
CID 63502493
N-[[1-(2-butoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 65194383
N-[(1-octylcyclobutyl)methyl]ethanamine
CID 65194537
N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 106456993
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1,1-di(nonyl)cyclopentane
CID 154318487
N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine
CID 104649326
N-[(1-hexylcyclohexyl)methyl]propan-1-amine
CID 63508687
2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine
CID 65194168
N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine
CID 104649319

Frequently Asked Questions

What is the IUPAC name of N-[(1-dodecylcyclobutyl)methyl]propan-2-amine?
The IUPAC name of N-[(1-dodecylcyclobutyl)methyl]propan-2-amine (CID 65194668) is N-[(1-dodecylcyclobutyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-dodecylcyclobutyl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-dodecylcyclobutyl)methyl]propan-2-amine is CCCCCCCCCCCCC1(CNC(C)C)CCC1.
What is the InChIKey of N-[(1-dodecylcyclobutyl)methyl]propan-2-amine?
The InChIKey is JFKXRTPGPRRJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-4-5-6-7-8-9-10-11-12-13-15-20(16-14-17-20)18-21-19(2)3/h19,21H,4-18H2,1-3H3.
What are the key properties of N-[(1-dodecylcyclobutyl)methyl]propan-2-amine?
N-[(1-dodecylcyclobutyl)methyl]propan-2-amine has a molecular weight of 295.56 g/mol, XLogP of 6.47, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-dodecylcyclobutyl)methyl]propan-2-amine is sourced from PubChem (CID 65194668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).