cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine

C13H23N — CID 130962040

IUPACcis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine
SMILESC#CCNC1C[C@H](C)CC[C@@H]1C(C)C
InChIInChI=1S/C13H23N/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3/h1,10-14H,6-9H2,2-4H3/t11-,12-,13?/m1/s1
InChIKeyJWFNOHMUZGPLNZ-ZNRZSNADSA-N
MW193.33 g/mol
LogP2.67
Rot. Bonds3

About cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine

cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine (PubChem CID 130962040) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine
PubChem CID130962040
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Namecis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine
SMILESC#CCNC1C[C@H](C)CC[C@@H]1C(C)C
InChIInChI=1S/C13H23N/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3/h1,10-14H,6-9H2,2-4H3/t11-,12-,13?/m1/s1
InChIKeyJWFNOHMUZGPLNZ-ZNRZSNADSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-hex-5-ynyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 114158519
(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 103906936
5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine
CID 43710072
4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile
CID 115976292
2,4-dimethyl-N-prop-2-ynylcyclohexan-1-amine
CID 63993727
N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43223218
5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 63464522
N-[(2,6-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710184
5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-propan-2-ylcyclohexan-1-amine
CID 43105975
N-(2-ethoxypropyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 115724398
6-[(5-methyl-2-propan-2-ylcyclohexyl)amino]hexan-1-ol
CID 103922216
5-methyl-2-propan-2-yl-N-(3-propan-2-ylcyclobutyl)cyclohexan-1-amine
CID 103561293

Frequently Asked Questions

What is the IUPAC name of cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine?
The IUPAC name of cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine (CID 130962040) is cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine.
What is the SMILES notation for cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine?
The canonical SMILES for cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine is C#CCNC1C[C@H](C)CC[C@@H]1C(C)C.
What is the InChIKey of cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine?
The InChIKey is JWFNOHMUZGPLNZ-ZNRZSNADSA-N. The full InChI is InChI=1S/C13H23N/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3/h1,10-14H,6-9H2,2-4H3/t11-,12-,13?/m1/s1.
What are the key properties of cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine?
cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine is sourced from PubChem (CID 130962040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).