cis-(1S,3S)-3-methoxy-3-methyl-N-(2-methylpropyl)cyclohexan-1-amine

C12H25NO — CID 154661636

IUPACcis-(1S,3S)-3-methoxy-3-methyl-N-(2-methylpropyl)cyclohexan-1-amine
SMILESCO[C@@]1(C)CCC[C@H](NCC(C)C)C1
InChIInChI=1S/C12H25NO/c1-10(2)9-13-11-6-5-7-12(3,8-11)14-4/h10-11,13H,5-9H2,1-4H3/t11-,12-/m0/s1
InChIKeyJISXSGCXJGQFKD-RYUDHWBXSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds4

About cis-(1S,3S)-3-methoxy-3-methyl-N-(2-methylpropyl)cyclohexan-1-amine

cis-(1S,3S)-3-methoxy-3-methyl-N-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 154661636) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is cis-(1S,3S)-3-methoxy-3-methyl-N-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,3S)-3-methoxy-3-methyl-N-(2-methylpropyl)cyclohexan-1-amine
PubChem CID154661636
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Namecis-(1S,3S)-3-methoxy-3-methyl-N-(2-methylpropyl)cyclohexan-1-amine
SMILESCO[C@@]1(C)CCC[C@H](NCC(C)C)C1
InChIInChI=1S/C12H25NO/c1-10(2)9-13-11-6-5-7-12(3,8-11)14-4/h10-11,13H,5-9H2,1-4H3/t11-,12-/m0/s1
InChIKeyJISXSGCXJGQFKD-RYUDHWBXSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-3-methoxy-3-methyl-N-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of cis-(1S,3S)-3-methoxy-3-methyl-N-(2-methylpropyl)cyclohexan-1-amine (CID 154661636) is cis-(1S,3S)-3-methoxy-3-methyl-N-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1S,3S)-3-methoxy-3-methyl-N-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for cis-(1S,3S)-3-methoxy-3-methyl-N-(2-methylpropyl)cyclohexan-1-amine is CO[C@@]1(C)CCC[C@H](NCC(C)C)C1.
What is the InChIKey of cis-(1S,3S)-3-methoxy-3-methyl-N-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is JISXSGCXJGQFKD-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)9-13-11-6-5-7-12(3,8-11)14-4/h10-11,13H,5-9H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of cis-(1S,3S)-3-methoxy-3-methyl-N-(2-methylpropyl)cyclohexan-1-amine?
cis-(1S,3S)-3-methoxy-3-methyl-N-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-3-methoxy-3-methyl-N-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 154661636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).