N-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine

C12H23N — CID 62725163

IUPACN-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine
SMILESCCCC1(CNC)CC2CCC1C2
InChIInChI=1S/C12H23N/c1-3-6-12(9-13-2)8-10-4-5-11(12)7-10/h10-11,13H,3-9H2,1-2H3
InChIKeyFSRYZDOHTZLBBL-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.81
Rot. Bonds4

About N-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine

N-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine (PubChem CID 62725163) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine
PubChem CID62725163
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine
SMILESCCCC1(CNC)CC2CCC1C2
InChIInChI=1S/C12H23N/c1-3-6-12(9-13-2)8-10-4-5-11(12)7-10/h10-11,13H,3-9H2,1-2H3
InChIKeyFSRYZDOHTZLBBL-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-nonyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine
CID 63520946
N-methyl-1-[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 62723956
N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 63521992
N-methyl-1-[2-[3-(oxolan-2-yl)propyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 65165818
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
N-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
CID 63522001
N-methyl-1-[2-[2-(1-methylimidazol-2-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 114531410
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
1-[2-[(5-fluoro-2-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
CID 105374902
1-[2-[2-(3-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
CID 63523064

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine?
The IUPAC name of N-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine (CID 62725163) is N-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine?
The canonical SMILES for N-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine is CCCC1(CNC)CC2CCC1C2.
What is the InChIKey of N-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine?
The InChIKey is FSRYZDOHTZLBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-3-6-12(9-13-2)8-10-4-5-11(12)7-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine?
N-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine has a molecular weight of 181.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine is sourced from PubChem (CID 62725163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).