N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine

C14H27NO2 — CID 107386158

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCC1(C)CCC(NCC2COC(C)(C)O2)CC1
InChIInChI=1S/C14H27NO2/c1-13(2)7-5-11(6-8-13)15-9-12-10-16-14(3,4)17-12/h11-12,15H,5-10H2,1-4H3
InChIKeyZOPHZKMSRHBJRI-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.70
Rot. Bonds3

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine (PubChem CID 107386158) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine
PubChem CID107386158
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCC1(C)CCC(NCC2COC(C)(C)O2)CC1
InChIInChI=1S/C14H27NO2/c1-13(2)7-5-11(6-8-13)15-9-12-10-16-14(3,4)17-12/h11-12,15H,5-10H2,1-4H3
InChIKeyZOPHZKMSRHBJRI-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine
CID 14747641
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 107386220
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
CID 59058282
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107386326
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyloxolan-3-amine
CID 107386372
2-tert-butyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine
CID 107386074
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
CID 23541087
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 107386680
2-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine
CID 107386457
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 107386057
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
3-[[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]piperidin-1-yl]methyl]benzonitrile
CID 167987416

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine (CID 107386158) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine is CC1(C)CCC(NCC2COC(C)(C)O2)CC1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The InChIKey is ZOPHZKMSRHBJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2)7-5-11(6-8-13)15-9-12-10-16-14(3,4)17-12/h11-12,15H,5-10H2,1-4H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 107386158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).