N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine

C18H27N — CID 63521463

IUPACN-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine
SMILESCCCNCC1(Cc2ccccc2)CC2CCC1C2
InChIInChI=1S/C18H27N/c1-2-10-19-14-18(12-15-6-4-3-5-7-15)13-16-8-9-17(18)11-16/h3-7,16-17,19H,2,8-14H2,1H3
InChIKeyPJAJBTMASHPGPS-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.04
Rot. Bonds6

About N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine

N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine (PubChem CID 63521463) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine
PubChem CID63521463
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine
SMILESCCCNCC1(Cc2ccccc2)CC2CCC1C2
InChIInChI=1S/C18H27N/c1-2-10-19-14-18(12-15-6-4-3-5-7-15)13-16-8-9-17(18)11-16/h3-7,16-17,19H,2,8-14H2,1H3
InChIKeyPJAJBTMASHPGPS-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.04
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-[(3,5-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 63521111
N-[[2-[(2,6-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 114933522
N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
CID 63521467
N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 63520937
N-[[2-[(4-bromothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 63521459
N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine
CID 63522562
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-1-amine
CID 63521992
N-[[2-(3-ethylsulfonylpropyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 65096862
N-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 62723558
2-(bromomethyl)-2-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane
CID 66049067
N-[[2-[(3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63521649

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine (CID 63521463) is N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine is CCCNCC1(Cc2ccccc2)CC2CCC1C2.
What is the InChIKey of N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine?
The InChIKey is PJAJBTMASHPGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-10-19-14-18(12-15-6-4-3-5-7-15)13-16-8-9-17(18)11-16/h3-7,16-17,19H,2,8-14H2,1H3.
What are the key properties of N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine?
N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine is sourced from PubChem (CID 63521463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).