N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine

C16H31N — CID 63521992

IUPACN-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
SMILESCCCNCC1(CCC(C)C)CC2CCC1C2
InChIInChI=1S/C16H31N/c1-4-9-17-12-16(8-7-13(2)3)11-14-5-6-15(16)10-14/h13-15,17H,4-12H2,1-3H3
InChIKeyRLFJAQNPWCZWRZ-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.23
Rot. Bonds7

About N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine

N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine (PubChem CID 63521992) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
PubChem CID63521992
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
SMILESCCCNCC1(CCC(C)C)CC2CCC1C2
InChIInChI=1S/C16H31N/c1-4-9-17-12-16(8-7-13(2)3)11-14-5-6-15(16)10-14/h13-15,17H,4-12H2,1-3H3
InChIKeyRLFJAQNPWCZWRZ-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.23
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-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 62723558
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-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63521653
2-methyl-N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63521306
N-[[2-(3-ethylsulfonylpropyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 65096862
N-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 103183453
N-[[2-(2-tert-butylsulfonylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 106729828
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-1-amine
CID 63521463
N-[[2-[(3,5-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 63521111
N-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
CID 63522001

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine (CID 63521992) is N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine is CCCNCC1(CCC(C)C)CC2CCC1C2.
What is the InChIKey of N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The InChIKey is RLFJAQNPWCZWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-4-9-17-12-16(8-7-13(2)3)11-14-5-6-15(16)10-14/h13-15,17H,4-12H2,1-3H3.
What are the key properties of N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine is sourced from PubChem (CID 63521992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).