(1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine

C18H33N — CID 115400799

IUPAC(1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC1CCC(CNC2C(C)(C)[C@H]3CC[C@]2(C)C3)CC1
InChIInChI=1S/C18H33N/c1-13-5-7-14(8-6-13)12-19-16-17(2,3)15-9-10-18(16,4)11-15/h13-16,19H,5-12H2,1-4H3/t13?,14?,15-,16?,18+/m0/s1
InChIKeyHNZMVQSAPZYUJK-NKUSZHJXSA-N
MW263.47 g/mol
LogP4.62
Rot. Bonds3

About (1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine

(1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 115400799) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is (1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID115400799
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name(1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC1CCC(CNC2C(C)(C)[C@H]3CC[C@]2(C)C3)CC1
InChIInChI=1S/C18H33N/c1-13-5-7-14(8-6-13)12-19-16-17(2,3)15-9-10-18(16,4)11-15/h13-16,19H,5-12H2,1-4H3/t13?,14?,15-,16?,18+/m0/s1
InChIKeyHNZMVQSAPZYUJK-NKUSZHJXSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

Mecamylamine
CID 4032
Dexmecamylamine
CID 12358972
2(R)-Mecamylamine
CID 6603935
(1S,4R)-N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 10932563
(8S)-N-(cyclohexylmethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
CID 73352414
N,N'-bis[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]hexane-1,6-diamine
CID 90670987
N,1,7,7-Tetramethylbicyclo[2.2.1]heptan-2-amine
CID 31142
2-Norbornanamine, N,3,3-trimethyl-
CID 3021748
N,N'-bis[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]heptane-1,7-diamine
CID 90670988
N,N'-bis[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]dodecane-1,12-diamine
CID 90670989
N-ethyl-2,3,3-trimethylbicyclo[2.2.1]heptan-1-amine
CID 15226436
N,3-dimethylbicyclo[2.2.1]heptan-2-amine
CID 56157

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 115400799) is (1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine is CC1CCC(CNC2C(C)(C)[C@H]3CC[C@]2(C)C3)CC1.
What is the InChIKey of (1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is HNZMVQSAPZYUJK-NKUSZHJXSA-N. The full InChI is InChI=1S/C18H33N/c1-13-5-7-14(8-6-13)12-19-16-17(2,3)15-9-10-18(16,4)11-15/h13-16,19H,5-12H2,1-4H3/t13?,14?,15-,16?,18+/m0/s1.
What are the key properties of (1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine?
(1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 263.47 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115400799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).