[4-(cyclopropylamino)-1-pyridin-2-ylcyclohexyl]methyl carbamate

C16H23N3O2 — CID 59030625

IUPAC[4-(cyclopropylamino)-1-pyridin-2-ylcyclohexyl]methyl carbamate
SMILESNC(=O)OCC1(c2ccccn2)CCC(NC2CC2)CC1
InChIInChI=1S/C16H23N3O2/c17-15(20)21-11-16(14-3-1-2-10-18-14)8-6-13(7-9-16)19-12-4-5-12/h1-3,10,12-13,19H,4-9,11H2,(H2,17,20)
InChIKeyVDCYDPNEERPWJW-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.11
Rot. Bonds5

About [4-(cyclopropylamino)-1-pyridin-2-ylcyclohexyl]methyl carbamate

[4-(cyclopropylamino)-1-pyridin-2-ylcyclohexyl]methyl carbamate (PubChem CID 59030625) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [4-(cyclopropylamino)-1-pyridin-2-ylcyclohexyl]methyl carbamate.

Molecular Properties

Compound Name[4-(cyclopropylamino)-1-pyridin-2-ylcyclohexyl]methyl carbamate
PubChem CID59030625
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[4-(cyclopropylamino)-1-pyridin-2-ylcyclohexyl]methyl carbamate
SMILESNC(=O)OCC1(c2ccccn2)CCC(NC2CC2)CC1
InChIInChI=1S/C16H23N3O2/c17-15(20)21-11-16(14-3-1-2-10-18-14)8-6-13(7-9-16)19-12-4-5-12/h1-3,10,12-13,19H,4-9,11H2,(H2,17,20)
InChIKeyVDCYDPNEERPWJW-UHFFFAOYSA-N
XLogP2.11
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylamino)-1-pyridin-2-ylcyclohexyl]methyl carbamate?
The IUPAC name of [4-(cyclopropylamino)-1-pyridin-2-ylcyclohexyl]methyl carbamate (CID 59030625) is [4-(cyclopropylamino)-1-pyridin-2-ylcyclohexyl]methyl carbamate.
What is the SMILES notation for [4-(cyclopropylamino)-1-pyridin-2-ylcyclohexyl]methyl carbamate?
The canonical SMILES for [4-(cyclopropylamino)-1-pyridin-2-ylcyclohexyl]methyl carbamate is NC(=O)OCC1(c2ccccn2)CCC(NC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylamino)-1-pyridin-2-ylcyclohexyl]methyl carbamate?
The InChIKey is VDCYDPNEERPWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-15(20)21-11-16(14-3-1-2-10-18-14)8-6-13(7-9-16)19-12-4-5-12/h1-3,10,12-13,19H,4-9,11H2,(H2,17,20).
What are the key properties of [4-(cyclopropylamino)-1-pyridin-2-ylcyclohexyl]methyl carbamate?
[4-(cyclopropylamino)-1-pyridin-2-ylcyclohexyl]methyl carbamate has a molecular weight of 289.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylamino)-1-pyridin-2-ylcyclohexyl]methyl carbamate is sourced from PubChem (CID 59030625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).