N-methyl-1-(2-methylcyclopropyl)undecan-1-amine

C16H33N — CID 65419745

IUPACN-methyl-1-(2-methylcyclopropyl)undecan-1-amine
SMILESCCCCCCCCCCC(NC)C1CC1C
InChIInChI=1S/C16H33N/c1-4-5-6-7-8-9-10-11-12-16(17-3)15-13-14(15)2/h14-17H,4-13H2,1-3H3
InChIKeySOBWXYFTWJDFIH-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.76
Rot. Bonds11

About N-methyl-1-(2-methylcyclopropyl)undecan-1-amine

N-methyl-1-(2-methylcyclopropyl)undecan-1-amine (PubChem CID 65419745) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-methyl-1-(2-methylcyclopropyl)undecan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylcyclopropyl)undecan-1-amine
PubChem CID65419745
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-methyl-1-(2-methylcyclopropyl)undecan-1-amine
SMILESCCCCCCCCCCC(NC)C1CC1C
InChIInChI=1S/C16H33N/c1-4-5-6-7-8-9-10-11-12-16(17-3)15-13-14(15)2/h14-17H,4-13H2,1-3H3
InChIKeySOBWXYFTWJDFIH-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.76
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-methyl-1-(2-methylcyclopropyl)pentan-1-amine
CID 65419536
1-(2-methylcyclopropyl)octylhydrazine
CID 105234832
1-(2-methylcyclopropyl)-N-propylundecan-1-amine
CID 65419339
1-(3,5-dimethylcyclohexyl)-N-methyloctan-1-amine
CID 104989051
N-methyl-1-(4-methylcyclohexyl)nonan-1-amine
CID 63415649
N-ethyl-1-(2-methylcyclopropyl)pentan-1-amine
CID 65420843
N-methyl-1-(2-methyloxolan-3-yl)hexan-1-amine
CID 115837016
1-(2-ethylcyclohexyl)-N-methylhexan-1-amine
CID 115862819
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine
CID 65425541
N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)nonan-1-amine
CID 115998056
1-(2-adamantyl)-N-methylhexan-1-amine
CID 115837552

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylcyclopropyl)undecan-1-amine?
The IUPAC name of N-methyl-1-(2-methylcyclopropyl)undecan-1-amine (CID 65419745) is N-methyl-1-(2-methylcyclopropyl)undecan-1-amine.
What is the SMILES notation for N-methyl-1-(2-methylcyclopropyl)undecan-1-amine?
The canonical SMILES for N-methyl-1-(2-methylcyclopropyl)undecan-1-amine is CCCCCCCCCCC(NC)C1CC1C.
What is the InChIKey of N-methyl-1-(2-methylcyclopropyl)undecan-1-amine?
The InChIKey is SOBWXYFTWJDFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-4-5-6-7-8-9-10-11-12-16(17-3)15-13-14(15)2/h14-17H,4-13H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylcyclopropyl)undecan-1-amine?
N-methyl-1-(2-methylcyclopropyl)undecan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.76, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylcyclopropyl)undecan-1-amine is sourced from PubChem (CID 65419745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).