N-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine

C17H33N — CID 63522001

IUPACN-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
SMILESCCCCCCC1(CNC(C)C)CC2CCC1C2
InChIInChI=1S/C17H33N/c1-4-5-6-7-10-17(13-18-14(2)3)12-15-8-9-16(17)11-15/h14-16,18H,4-13H2,1-3H3
InChIKeyOZKPFOUHVLVSEL-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.76
Rot. Bonds8

About N-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine

N-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine (PubChem CID 63522001) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
PubChem CID63522001
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
SMILESCCCCCCC1(CNC(C)C)CC2CCC1C2
InChIInChI=1S/C17H33N/c1-4-5-6-7-10-17(13-18-14(2)3)12-15-8-9-16(17)11-15/h14-16,18H,4-13H2,1-3H3
InChIKeyOZKPFOUHVLVSEL-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
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-[(2-nonyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine
CID 63520946
N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63522177
N-[[2-(2-methoxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 62723961
N-[[2-(cyclopentylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63521466
N-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine
CID 62725163
N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
CID 63521467
N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 106705985
N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 63521992
N-[(1-dodecylcyclobutyl)methyl]propan-2-amine
CID 65194668
N-[[2-[(4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63521648
N-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine
CID 104649309
N-[(2-cyclopentyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
CID 82933969

Frequently Asked Questions

What is the IUPAC name of N-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine (CID 63522001) is N-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine is CCCCCCC1(CNC(C)C)CC2CCC1C2.
What is the InChIKey of N-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine?
The InChIKey is OZKPFOUHVLVSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-4-5-6-7-10-17(13-18-14(2)3)12-15-8-9-16(17)11-15/h14-16,18H,4-13H2,1-3H3.
What are the key properties of N-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine?
N-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine has a molecular weight of 251.46 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine is sourced from PubChem (CID 63522001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).