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

C16H31N — CID 63522177

IUPACN-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCC(C)CCC1(CNC(C)C)CC2CCC1C2
InChIInChI=1S/C16H31N/c1-12(2)7-8-16(11-17-13(3)4)10-14-5-6-15(16)9-14/h12-15,17H,5-11H2,1-4H3
InChIKeyPMNJTTKPGNSHQJ-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.23
Rot. Bonds6

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

N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (PubChem CID 63522177) 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-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
PubChem CID63522177
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCC(C)CCC1(CNC(C)C)CC2CCC1C2
InChIInChI=1S/C16H31N/c1-12(2)7-8-16(11-17-13(3)4)10-14-5-6-15(16)9-14/h12-15,17H,5-11H2,1-4H3
InChIKeyPMNJTTKPGNSHQJ-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (CID 63522177) is N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is CC(C)CCC1(CNC(C)C)CC2CCC1C2.
What is the InChIKey of N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The InChIKey is PMNJTTKPGNSHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12(2)7-8-16(11-17-13(3)4)10-14-5-6-15(16)9-14/h12-15,17H,5-11H2,1-4H3.
What are the key properties of N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine has a molecular weight of 237.43 g/mol, XLogP of 4.23, 6 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-2-amine is sourced from PubChem (CID 63522177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).