N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine

C14H27NO2 — CID 107386040

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
SMILESCC1CCC(CNCC2COC(C)(C)O2)CC1
InChIInChI=1S/C14H27NO2/c1-11-4-6-12(7-5-11)8-15-9-13-10-16-14(2,3)17-13/h11-13,15H,4-10H2,1-3H3
InChIKeyLFSLAIANLZDAFR-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.55
Rot. Bonds4

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

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine (PubChem CID 107386040) 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]-1-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
PubChem CID107386040
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
SMILESCC1CCC(CNCC2COC(C)(C)O2)CC1
InChIInChI=1S/C14H27NO2/c1-11-4-6-12(7-5-11)8-15-9-13-10-16-14(2,3)17-13/h11-13,15H,4-10H2,1-3H3
InChIKeyLFSLAIANLZDAFR-UHFFFAOYSA-N
XLogP2.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 63001385
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
CID 23541087
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
CID 59058282
(4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 123766397
4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 146450833
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutan-1-amine
CID 21027171
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]propan-2-ol
CID 10903259
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine
CID 14747641
4-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide
CID 104694629
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 107386158
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyloxolan-3-amine
CID 107386372
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine (CID 107386040) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine is CC1CCC(CNCC2COC(C)(C)O2)CC1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
The InChIKey is LFSLAIANLZDAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11-4-6-12(7-5-11)8-15-9-13-10-16-14(2,3)17-13/h11-13,15H,4-10H2,1-3H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine has a molecular weight of 241.37 g/mol, XLogP of 2.55, 4 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]-1-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 107386040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).