[1-(methylamino)-3-(1-methylcyclohexyl)propan-2-yl]carbamic acid

C12H24N2O2 — CID 123916834

IUPAC[1-(methylamino)-3-(1-methylcyclohexyl)propan-2-yl]carbamic acid
SMILESCNCC(CC1(C)CCCCC1)NC(=O)O
InChIInChI=1S/C12H24N2O2/c1-12(6-4-3-5-7-12)8-10(9-13-2)14-11(15)16/h10,13-14H,3-9H2,1-2H3,(H,15,16)
InChIKeyMPQSWIRBDHZHOK-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.20
Rot. Bonds5

About [1-(methylamino)-3-(1-methylcyclohexyl)propan-2-yl]carbamic acid

[1-(methylamino)-3-(1-methylcyclohexyl)propan-2-yl]carbamic acid (PubChem CID 123916834) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is [1-(methylamino)-3-(1-methylcyclohexyl)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(methylamino)-3-(1-methylcyclohexyl)propan-2-yl]carbamic acid
PubChem CID123916834
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name[1-(methylamino)-3-(1-methylcyclohexyl)propan-2-yl]carbamic acid
SMILESCNCC(CC1(C)CCCCC1)NC(=O)O
InChIInChI=1S/C12H24N2O2/c1-12(6-4-3-5-7-12)8-10(9-13-2)14-11(15)16/h10,13-14H,3-9H2,1-2H3,(H,15,16)
InChIKeyMPQSWIRBDHZHOK-UHFFFAOYSA-N
XLogP2.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-3-(1-methylcyclohexyl)propan-2-yl]carbamic acid?
The IUPAC name of [1-(methylamino)-3-(1-methylcyclohexyl)propan-2-yl]carbamic acid (CID 123916834) is [1-(methylamino)-3-(1-methylcyclohexyl)propan-2-yl]carbamic acid.
What is the SMILES notation for [1-(methylamino)-3-(1-methylcyclohexyl)propan-2-yl]carbamic acid?
The canonical SMILES for [1-(methylamino)-3-(1-methylcyclohexyl)propan-2-yl]carbamic acid is CNCC(CC1(C)CCCCC1)NC(=O)O.
What is the InChIKey of [1-(methylamino)-3-(1-methylcyclohexyl)propan-2-yl]carbamic acid?
The InChIKey is MPQSWIRBDHZHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(6-4-3-5-7-12)8-10(9-13-2)14-11(15)16/h10,13-14H,3-9H2,1-2H3,(H,15,16).
What are the key properties of [1-(methylamino)-3-(1-methylcyclohexyl)propan-2-yl]carbamic acid?
[1-(methylamino)-3-(1-methylcyclohexyl)propan-2-yl]carbamic acid has a molecular weight of 228.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-3-(1-methylcyclohexyl)propan-2-yl]carbamic acid is sourced from PubChem (CID 123916834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).