cis-(1R,5R)-1,2,3-trimethyl-5-propan-2-ylcyclohexan-1-amine

C12H25N — CID 68730279

IUPACcis-(1R,5R)-1,2,3-trimethyl-5-propan-2-ylcyclohexan-1-amine
SMILESCC1C[C@@H](C(C)C)C[C@@](C)(N)C1C
InChIInChI=1S/C12H25N/c1-8(2)11-6-9(3)10(4)12(5,13)7-11/h8-11H,6-7,13H2,1-5H3/t9?,10?,11-,12-/m1/s1
InChIKeyHVHJWLGZIXUNKE-KIDURHIOSA-N
MW183.34 g/mol
LogP3.04
Rot. Bonds1

About cis-(1R,5R)-1,2,3-trimethyl-5-propan-2-ylcyclohexan-1-amine

cis-(1R,5R)-1,2,3-trimethyl-5-propan-2-ylcyclohexan-1-amine (PubChem CID 68730279) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is cis-(1R,5R)-1,2,3-trimethyl-5-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,5R)-1,2,3-trimethyl-5-propan-2-ylcyclohexan-1-amine
PubChem CID68730279
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Namecis-(1R,5R)-1,2,3-trimethyl-5-propan-2-ylcyclohexan-1-amine
SMILESCC1C[C@@H](C(C)C)C[C@@](C)(N)C1C
InChIInChI=1S/C12H25N/c1-8(2)11-6-9(3)10(4)12(5,13)7-11/h8-11H,6-7,13H2,1-5H3/t9?,10?,11-,12-/m1/s1
InChIKeyHVHJWLGZIXUNKE-KIDURHIOSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,5R)-1,2,3-trimethyl-5-propan-2-ylcyclohexan-1-amine?
The IUPAC name of cis-(1R,5R)-1,2,3-trimethyl-5-propan-2-ylcyclohexan-1-amine (CID 68730279) is cis-(1R,5R)-1,2,3-trimethyl-5-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for cis-(1R,5R)-1,2,3-trimethyl-5-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for cis-(1R,5R)-1,2,3-trimethyl-5-propan-2-ylcyclohexan-1-amine is CC1C[C@@H](C(C)C)C[C@@](C)(N)C1C.
What is the InChIKey of cis-(1R,5R)-1,2,3-trimethyl-5-propan-2-ylcyclohexan-1-amine?
The InChIKey is HVHJWLGZIXUNKE-KIDURHIOSA-N. The full InChI is InChI=1S/C12H25N/c1-8(2)11-6-9(3)10(4)12(5,13)7-11/h8-11H,6-7,13H2,1-5H3/t9?,10?,11-,12-/m1/s1.
What are the key properties of cis-(1R,5R)-1,2,3-trimethyl-5-propan-2-ylcyclohexan-1-amine?
cis-(1R,5R)-1,2,3-trimethyl-5-propan-2-ylcyclohexan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,5R)-1,2,3-trimethyl-5-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 68730279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).