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

C16H29N — CID 63521653

IUPACN-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
SMILESCC(C)CCC1(CNC2CC2)CC2CCC1C2
InChIInChI=1S/C16H29N/c1-12(2)7-8-16(11-17-15-5-6-15)10-13-3-4-14(16)9-13/h12-15,17H,3-11H2,1-2H3
InChIKeyVAUCMSNJKKIVPP-UHFFFAOYSA-N
MW235.41 g/mol
LogP3.98
Rot. Bonds6

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

N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine (PubChem CID 63521653) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
PubChem CID63521653
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
SMILESCC(C)CCC1(CNC2CC2)CC2CCC1C2
InChIInChI=1S/C16H29N/c1-12(2)7-8-16(11-17-15-5-6-15)10-13-3-4-14(16)9-13/h12-15,17H,3-11H2,1-2H3
InChIKeyVAUCMSNJKKIVPP-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 53.98
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]cyclopropanamine?
The IUPAC name of N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine (CID 63521653) is N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine is CC(C)CCC1(CNC2CC2)CC2CCC1C2.
What is the InChIKey of N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The InChIKey is VAUCMSNJKKIVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-12(2)7-8-16(11-17-15-5-6-15)10-13-3-4-14(16)9-13/h12-15,17H,3-11H2,1-2H3.
What are the key properties of N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine has a molecular weight of 235.41 g/mol, XLogP of 3.98, 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]cyclopropanamine is sourced from PubChem (CID 63521653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).