N-[(6-methyl-2-propylcyclohepta-1,3,6-trien-1-yl)methyl]cyclohexanamine

C18H29N — CID 90826573

IUPACN-[(6-methyl-2-propylcyclohepta-1,3,6-trien-1-yl)methyl]cyclohexanamine
SMILESCCCC1=C(CNC2CCCCC2)C=C(C)CC=C1
InChIInChI=1S/C18H29N/c1-3-8-16-10-7-9-15(2)13-17(16)14-19-18-11-5-4-6-12-18/h7,10,13,18-19H,3-6,8-9,11-12,14H2,1-2H3
InChIKeyWWFUSCJGUQIBSJ-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.91
Rot. Bonds5

About N-[(6-methyl-2-propylcyclohepta-1,3,6-trien-1-yl)methyl]cyclohexanamine

N-[(6-methyl-2-propylcyclohepta-1,3,6-trien-1-yl)methyl]cyclohexanamine (PubChem CID 90826573) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[(6-methyl-2-propylcyclohepta-1,3,6-trien-1-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(6-methyl-2-propylcyclohepta-1,3,6-trien-1-yl)methyl]cyclohexanamine
PubChem CID90826573
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[(6-methyl-2-propylcyclohepta-1,3,6-trien-1-yl)methyl]cyclohexanamine
SMILESCCCC1=C(CNC2CCCCC2)C=C(C)CC=C1
InChIInChI=1S/C18H29N/c1-3-8-16-10-7-9-15(2)13-17(16)14-19-18-11-5-4-6-12-18/h7,10,13,18-19H,3-6,8-9,11-12,14H2,1-2H3
InChIKeyWWFUSCJGUQIBSJ-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,6S)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridinium
CID 16193239
N-(2-cyclopentylideneethyl)cyclohexanamine
CID 23646101
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
N-(2-cyclohexylideneethyl)cyclohexanamine
CID 23646103
(R)-(E,E)-2-(1,3-pentadienyl)piperidine
CID 139585096
1-(Cyclohexa-1,4-dien-1-yl)-N-methylpropan-2-amine
CID 57487843
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
5H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride
CID 28869
(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 1272098
2,6-Bis-(2-methyl-allyl)-1,2,3,6-tetrahydro-pyridine
CID 3123936
2,6-Diallyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 3143282
(2S,6R)-2,6-bis(2-methylprop-2-enyl)-1,2,5,6-tetrahydropyridine
CID 7175881

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-propylcyclohepta-1,3,6-trien-1-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(6-methyl-2-propylcyclohepta-1,3,6-trien-1-yl)methyl]cyclohexanamine (CID 90826573) is N-[(6-methyl-2-propylcyclohepta-1,3,6-trien-1-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(6-methyl-2-propylcyclohepta-1,3,6-trien-1-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(6-methyl-2-propylcyclohepta-1,3,6-trien-1-yl)methyl]cyclohexanamine is CCCC1=C(CNC2CCCCC2)C=C(C)CC=C1.
What is the InChIKey of N-[(6-methyl-2-propylcyclohepta-1,3,6-trien-1-yl)methyl]cyclohexanamine?
The InChIKey is WWFUSCJGUQIBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-8-16-10-7-9-15(2)13-17(16)14-19-18-11-5-4-6-12-18/h7,10,13,18-19H,3-6,8-9,11-12,14H2,1-2H3.
What are the key properties of N-[(6-methyl-2-propylcyclohepta-1,3,6-trien-1-yl)methyl]cyclohexanamine?
N-[(6-methyl-2-propylcyclohepta-1,3,6-trien-1-yl)methyl]cyclohexanamine has a molecular weight of 259.44 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-propylcyclohepta-1,3,6-trien-1-yl)methyl]cyclohexanamine is sourced from PubChem (CID 90826573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).