N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)cyclohexanamine

C18H31N — CID 3945778

IUPACN-(1-tricyclo[4.3.1.13,8]undecanylmethyl)cyclohexanamine
SMILESC1CCC(NCC23CC4CCC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H31N/c1-2-4-17(5-3-1)19-13-18-10-14-6-7-15(11-18)9-16(8-14)12-18/h14-17,19H,1-13H2
InChIKeyPKBUIZHIHYBDQH-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.52
Rot. Bonds3

About N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)cyclohexanamine

N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)cyclohexanamine (PubChem CID 3945778) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(1-tricyclo[4.3.1.13,8]undecanylmethyl)cyclohexanamine
PubChem CID3945778
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-(1-tricyclo[4.3.1.13,8]undecanylmethyl)cyclohexanamine
SMILESC1CCC(NCC23CC4CCC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H31N/c1-2-4-17(5-3-1)19-13-18-10-14-6-7-15(11-18)9-16(8-14)12-18/h14-17,19H,1-13H2
InChIKeyPKBUIZHIHYBDQH-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)cyclohexanamine?
The IUPAC name of N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)cyclohexanamine (CID 3945778) is N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)cyclohexanamine.
What is the SMILES notation for N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)cyclohexanamine?
The canonical SMILES for N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)cyclohexanamine is C1CCC(NCC23CC4CCC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)cyclohexanamine?
The InChIKey is PKBUIZHIHYBDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-2-4-17(5-3-1)19-13-18-10-14-6-7-15(11-18)9-16(8-14)12-18/h14-17,19H,1-13H2.
What are the key properties of N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)cyclohexanamine?
N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)cyclohexanamine has a molecular weight of 261.45 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)cyclohexanamine is sourced from PubChem (CID 3945778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).