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

C20H39N — CID 63520946

IUPACN-[(2-nonyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine
SMILESCCCCCCCCCC1(CNCCC)CC2CCC1C2
InChIInChI=1S/C20H39N/c1-3-5-6-7-8-9-10-13-20(17-21-14-4-2)16-18-11-12-19(20)15-18/h18-19,21H,3-17H2,1-2H3
InChIKeyYTPYAXHVSFSDAK-UHFFFAOYSA-N
MW293.54 g/mol
LogP5.93
Rot. Bonds12

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

N-[(2-nonyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine (PubChem CID 63520946) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is N-[(2-nonyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-nonyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine
PubChem CID63520946
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC NameN-[(2-nonyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine
SMILESCCCCCCCCCC1(CNCCC)CC2CCC1C2
InChIInChI=1S/C20H39N/c1-3-5-6-7-8-9-10-13-20(17-21-14-4-2)16-18-11-12-19(20)15-18/h18-19,21H,3-17H2,1-2H3
InChIKeyYTPYAXHVSFSDAK-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 55.93
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-ethylsulfonylpropyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 65096862
N-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
CID 63522001
N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 63521992
N-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 103183453
N-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 62723558
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-[(2,6-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 114933522
N-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine
CID 104649309
2-methoxy-N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 115943396

Frequently Asked Questions

What is the IUPAC name of N-[(2-nonyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-nonyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine (CID 63520946) is N-[(2-nonyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-nonyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-nonyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine is CCCCCCCCCC1(CNCCC)CC2CCC1C2.
What is the InChIKey of N-[(2-nonyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine?
The InChIKey is YTPYAXHVSFSDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N/c1-3-5-6-7-8-9-10-13-20(17-21-14-4-2)16-18-11-12-19(20)15-18/h18-19,21H,3-17H2,1-2H3.
What are the key properties of N-[(2-nonyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine?
N-[(2-nonyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine has a molecular weight of 293.54 g/mol, XLogP of 5.93, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nonyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine is sourced from PubChem (CID 63520946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).