2-(4-methoxycyclohexyl)propan-2-amine

C10H21NO — CID 121318313

IUPAC2-(4-methoxycyclohexyl)propan-2-amine
SMILESCOC1CCC(C(C)(C)N)CC1
InChIInChI=1S/C10H21NO/c1-10(2,11)8-4-6-9(12-3)7-5-8/h8-9H,4-7,11H2,1-3H3
InChIKeyMHADFRAIWNFBDG-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds2

About 2-(4-methoxycyclohexyl)propan-2-amine

2-(4-methoxycyclohexyl)propan-2-amine (PubChem CID 121318313) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-(4-methoxycyclohexyl)propan-2-amine.

Molecular Properties

Compound Name2-(4-methoxycyclohexyl)propan-2-amine
PubChem CID121318313
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-(4-methoxycyclohexyl)propan-2-amine
SMILESCOC1CCC(C(C)(C)N)CC1
InChIInChI=1S/C10H21NO/c1-10(2,11)8-4-6-9(12-3)7-5-8/h8-9H,4-7,11H2,1-3H3
InChIKeyMHADFRAIWNFBDG-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycyclohexyl)propan-2-amine?
The IUPAC name of 2-(4-methoxycyclohexyl)propan-2-amine (CID 121318313) is 2-(4-methoxycyclohexyl)propan-2-amine.
What is the SMILES notation for 2-(4-methoxycyclohexyl)propan-2-amine?
The canonical SMILES for 2-(4-methoxycyclohexyl)propan-2-amine is COC1CCC(C(C)(C)N)CC1.
What is the InChIKey of 2-(4-methoxycyclohexyl)propan-2-amine?
The InChIKey is MHADFRAIWNFBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,11)8-4-6-9(12-3)7-5-8/h8-9H,4-7,11H2,1-3H3.
What are the key properties of 2-(4-methoxycyclohexyl)propan-2-amine?
2-(4-methoxycyclohexyl)propan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycyclohexyl)propan-2-amine is sourced from PubChem (CID 121318313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).