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

C10H21N — CID 124680458

IUPACcis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC[C@@](C)(N)C1
InChIInChI=1S/C10H21N/c1-8(2)9-5-4-6-10(3,11)7-9/h8-9H,4-7,11H2,1-3H3/t9?,10-/m1/s1
InChIKeyYHALBCMLPLKDGE-QVDQXJPCSA-N
MW155.28 g/mol
LogP2.55
Rot. Bonds1

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

cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine (PubChem CID 124680458) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine
PubChem CID124680458
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Namecis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC[C@@](C)(N)C1
InChIInChI=1S/C10H21N/c1-8(2)9-5-4-6-10(3,11)7-9/h8-9H,4-7,11H2,1-3H3/t9?,10-/m1/s1
InChIKeyYHALBCMLPLKDGE-QVDQXJPCSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine (CID 124680458) is cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC[C@@](C)(N)C1.
What is the InChIKey of cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is YHALBCMLPLKDGE-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H21N/c1-8(2)9-5-4-6-10(3,11)7-9/h8-9H,4-7,11H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine?
cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 124680458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).