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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Related Compounds

N-[(2-cycloheptyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine
CID 82934165
1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664
N-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide
CID 23308521
(3S,6S)-N-cyclohexyltricyclo[4.3.1.13,8]undecane-1-carbothioamide
CID 23308531
N-cyclohexyltricyclo[4.3.1.13,8]undecane-1-carbothioamide
CID 3289052
[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol
CID 6974562
N-(1-adamantylmethyl)-3-(cyclopropylamino)propanamide
CID 61259809
N-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine
CID 13404591
1-[(cyclobutylamino)methyl]cycloheptan-1-ol
CID 62416530
N-[(1-cyclopropylcyclopropyl)methyl]cycloheptanamine
CID 115757794
(2S)-1-(1-adamantyloxy)-3-(cyclohexylamino)propan-2-ol
CID 41493516
N-[(2-fluoro-1-methylcyclopropyl)methyl]cyclopentanamine
CID 130942520

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).