N-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine

C15H29NO — CID 106830218

IUPACN-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)C1(C)CCCCC1
InChIInChI=1S/C15H29NO/c1-15(10-4-3-5-11-15)14(16-2)9-8-13-7-6-12-17-13/h13-14,16H,3-12H2,1-2H3
InChIKeyYBNGXDKICWATCO-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds5

About N-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine

N-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 106830218) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID106830218
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)C1(C)CCCCC1
InChIInChI=1S/C15H29NO/c1-15(10-4-3-5-11-15)14(16-2)9-8-13-7-6-12-17-13/h13-14,16H,3-12H2,1-2H3
InChIKeyYBNGXDKICWATCO-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[1-(methylamino)-3-(oxolan-2-yl)propyl]cycloheptan-1-amine
CID 79081781
1-(1-ethoxycyclopentyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 116761965
N-methyl-1-(3-methyl-1-adamantyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993529
N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine
CID 62549646
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine
CID 104993519
1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine
CID 79066074
1-(1-ethylcyclopentyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993713
N-methyl-1-(2-methyloxolan-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993513
N-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993527
1-(2-methyloxan-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 80683820
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 113383516
N-methyl-1-(3-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164399

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine (CID 106830218) is N-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine is CNC(CCC1CCCO1)C1(C)CCCCC1.
What is the InChIKey of N-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is YBNGXDKICWATCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-15(10-4-3-5-11-15)14(16-2)9-8-13-7-6-12-17-13/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine?
N-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 106830218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).