4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-amine

C10H19NO2 — CID 67491648

IUPAC4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-amine
SMILESCC1(C2CCC(N)CC2)OCCO1
InChIInChI=1S/C10H19NO2/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8/h8-9H,2-7,11H2,1H3
InChIKeyZPHQZAOGIPSTFF-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.27
Rot. Bonds1

About 4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-amine

4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-amine (PubChem CID 67491648) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-amine
PubChem CID67491648
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-amine
SMILESCC1(C2CCC(N)CC2)OCCO1
InChIInChI=1S/C10H19NO2/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8/h8-9H,2-7,11H2,1H3
InChIKeyZPHQZAOGIPSTFF-UHFFFAOYSA-N
XLogP1.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-amine (CID 67491648) is 4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-amine is CC1(C2CCC(N)CC2)OCCO1.
What is the InChIKey of 4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-amine?
The InChIKey is ZPHQZAOGIPSTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8/h8-9H,2-7,11H2,1H3.
What are the key properties of 4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-amine?
4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-amine has a molecular weight of 185.27 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 67491648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).