N-[2-(2-methylpropyl)undecyl]cyclopropanamine

C18H37N — CID 63497802

IUPACN-[2-(2-methylpropyl)undecyl]cyclopropanamine
SMILESCCCCCCCCCC(CNC1CC1)CC(C)C
InChIInChI=1S/C18H37N/c1-4-5-6-7-8-9-10-11-17(14-16(2)3)15-19-18-12-13-18/h16-19H,4-15H2,1-3H3
InChIKeyWTKXCFRGUQKBRA-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.54
Rot. Bonds13

About N-[2-(2-methylpropyl)undecyl]cyclopropanamine

N-[2-(2-methylpropyl)undecyl]cyclopropanamine (PubChem CID 63497802) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-[2-(2-methylpropyl)undecyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-methylpropyl)undecyl]cyclopropanamine
PubChem CID63497802
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-[2-(2-methylpropyl)undecyl]cyclopropanamine
SMILESCCCCCCCCCC(CNC1CC1)CC(C)C
InChIInChI=1S/C18H37N/c1-4-5-6-7-8-9-10-11-17(14-16(2)3)15-19-18-12-13-18/h16-19H,4-15H2,1-3H3
InChIKeyWTKXCFRGUQKBRA-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.54
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-(2-ethyldodecyl)cyclopropanamine
CID 63521510
N-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine
CID 55082814
N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine
CID 62530308
N-methyl-2-(2-methylpropyl)nonan-1-amine
CID 63496028
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
N-(2-propan-2-yltetradecyl)cyclopropanamine
CID 63520975
N-ethyl-2-(2-methylpropyl)decan-1-amine
CID 55194495
N-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine
CID 103412314
N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 55200354
N-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine
CID 114201229
N-(2-ethylheptyl)piperidin-4-amine
CID 69327610
4-ethyl-2-methyldecane
CID 19893744

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropyl)undecyl]cyclopropanamine?
The IUPAC name of N-[2-(2-methylpropyl)undecyl]cyclopropanamine (CID 63497802) is N-[2-(2-methylpropyl)undecyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-methylpropyl)undecyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-methylpropyl)undecyl]cyclopropanamine is CCCCCCCCCC(CNC1CC1)CC(C)C.
What is the InChIKey of N-[2-(2-methylpropyl)undecyl]cyclopropanamine?
The InChIKey is WTKXCFRGUQKBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-4-5-6-7-8-9-10-11-17(14-16(2)3)15-19-18-12-13-18/h16-19H,4-15H2,1-3H3.
What are the key properties of N-[2-(2-methylpropyl)undecyl]cyclopropanamine?
N-[2-(2-methylpropyl)undecyl]cyclopropanamine has a molecular weight of 267.50 g/mol, XLogP of 5.54, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropyl)undecyl]cyclopropanamine is sourced from PubChem (CID 63497802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).