2-cyclopropyltridecan-3-amine

C16H33N — CID 115845964

IUPAC2-cyclopropyltridecan-3-amine
SMILESCCCCCCCCCCC(N)C(C)C1CC1
InChIInChI=1S/C16H33N/c1-3-4-5-6-7-8-9-10-11-16(17)14(2)15-12-13-15/h14-16H,3-13,17H2,1-2H3
InChIKeyNDQDEOJRVLNKAY-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.89
Rot. Bonds11

About 2-cyclopropyltridecan-3-amine

2-cyclopropyltridecan-3-amine (PubChem CID 115845964) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 2-cyclopropyltridecan-3-amine.

Molecular Properties

Compound Name2-cyclopropyltridecan-3-amine
PubChem CID115845964
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name2-cyclopropyltridecan-3-amine
SMILESCCCCCCCCCCC(N)C(C)C1CC1
InChIInChI=1S/C16H33N/c1-3-4-5-6-7-8-9-10-11-16(17)14(2)15-12-13-15/h14-16H,3-13,17H2,1-2H3
InChIKeyNDQDEOJRVLNKAY-UHFFFAOYSA-N
XLogP4.89
TPSA26.02 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 ≤ 54.89
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

2-cyclopropyldecan-3-amine
CID 115832316
2-cyclopropylundecan-3-amine
CID 115835648
hexadecane-6,7-diamine
CID 57245820
tritriacontane-16,17-diamine
CID 57106039
hexatriacontane-18,19-diamine
CID 57054547
1-cyclopropyl-1-ethoxynonan-2-amine
CID 116723047
octan-2-ylcyclopropane
CID 18968125
(3R)-2-methylundecan-3-amine
CID 167260316
1-cyclopentyldecan-2-amine
CID 115835607
1-cycloheptylheptan-1-amine
CID 65399314
1-cyclopropyloctylcyclopropane
CID 141276542
hexadecane-4,5-diamine
CID 57310882

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyltridecan-3-amine?
The IUPAC name of 2-cyclopropyltridecan-3-amine (CID 115845964) is 2-cyclopropyltridecan-3-amine.
What is the SMILES notation for 2-cyclopropyltridecan-3-amine?
The canonical SMILES for 2-cyclopropyltridecan-3-amine is CCCCCCCCCCC(N)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyltridecan-3-amine?
The InChIKey is NDQDEOJRVLNKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-3-4-5-6-7-8-9-10-11-16(17)14(2)15-12-13-15/h14-16H,3-13,17H2,1-2H3.
What are the key properties of 2-cyclopropyltridecan-3-amine?
2-cyclopropyltridecan-3-amine has a molecular weight of 239.45 g/mol, XLogP of 4.89, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyltridecan-3-amine is sourced from PubChem (CID 115845964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).