N-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohexanamine

C11H21NO2 — CID 131153771

IUPACN-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohexanamine
SMILESCC1(CNC2CCCCC2)OCCO1
InChIInChI=1S/C11H21NO2/c1-11(13-7-8-14-11)9-12-10-5-3-2-4-6-10/h10,12H,2-9H2,1H3
InChIKeyWICSBPLIYAQTCZ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds3

About N-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohexanamine

N-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohexanamine (PubChem CID 131153771) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohexanamine
PubChem CID131153771
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohexanamine
SMILESCC1(CNC2CCCCC2)OCCO1
InChIInChI=1S/C11H21NO2/c1-11(13-7-8-14-11)9-12-10-5-3-2-4-6-10/h10,12H,2-9H2,1H3
InChIKeyWICSBPLIYAQTCZ-UHFFFAOYSA-N
XLogP1.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexanamine
CID 165438987
N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1,1-dioxothian-4-amine
CID 131065113
cis-(1S,3R)-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 99827879
N-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine
CID 13404591
1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664
1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol
CID 60970973
2,3-dimethyl-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclobutan-1-amine
CID 130694717
N-[(2-fluoro-1-methylcyclopropyl)methyl]cyclopentanamine
CID 130942520
4-[(cycloheptylamino)methyl]-4-methyloxolan-3-amine
CID 66264626
N-[(3-methyloxolan-3-yl)methyl]cyclobutanamine
CID 130621360
N-[(1-propylcyclopropyl)methyl]cyclohexanamine
CID 115696304
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cycloheptanamine
CID 66475934

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohexanamine (CID 131153771) is N-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohexanamine is CC1(CNC2CCCCC2)OCCO1.
What is the InChIKey of N-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohexanamine?
The InChIKey is WICSBPLIYAQTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(13-7-8-14-11)9-12-10-5-3-2-4-6-10/h10,12H,2-9H2,1H3.
What are the key properties of N-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohexanamine?
N-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohexanamine has a molecular weight of 199.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohexanamine is sourced from PubChem (CID 131153771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).