N-[(2-amino-5-propylcyclohexyl)methyl]-N,2-dimethyloxolan-3-amine

C16H32N2O — CID 82743288

IUPACN-[(2-amino-5-propylcyclohexyl)methyl]-N,2-dimethyloxolan-3-amine
SMILESCCCC1CCC(N)C(CN(C)C2CCOC2C)C1
InChIInChI=1S/C16H32N2O/c1-4-5-13-6-7-15(17)14(10-13)11-18(3)16-8-9-19-12(16)2/h12-16H,4-11,17H2,1-3H3
InChIKeyQWRYAOMDXTZBMP-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.64
Rot. Bonds5

About N-[(2-amino-5-propylcyclohexyl)methyl]-N,2-dimethyloxolan-3-amine

N-[(2-amino-5-propylcyclohexyl)methyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82743288) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[(2-amino-5-propylcyclohexyl)methyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[(2-amino-5-propylcyclohexyl)methyl]-N,2-dimethyloxolan-3-amine
PubChem CID82743288
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[(2-amino-5-propylcyclohexyl)methyl]-N,2-dimethyloxolan-3-amine
SMILESCCCC1CCC(N)C(CN(C)C2CCOC2C)C1
InChIInChI=1S/C16H32N2O/c1-4-5-13-6-7-15(17)14(10-13)11-18(3)16-8-9-19-12(16)2/h12-16H,4-11,17H2,1-3H3
InChIKeyQWRYAOMDXTZBMP-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-2-N-(2-methyloxolan-3-yl)-4-propylcyclohexane-1,2-diamine
CID 82734835
2-[[methyl-(2-methylcyclohexyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 63493740
N-[(3-aminocyclopentyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82739993
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82743684
2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 112664707
2-[[cyclopropyl(propyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 55093550
N,2-dimethyl-N-(piperidin-4-ylmethyl)oxolan-3-amine
CID 82718644
2-[[3-methoxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 63007747
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine
CID 63233108
2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine
CID 61431166
2-[(2-amino-5-propylcyclohexyl)methyl-propylamino]ethanol
CID 62610160
2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 62611413

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-5-propylcyclohexyl)methyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[(2-amino-5-propylcyclohexyl)methyl]-N,2-dimethyloxolan-3-amine (CID 82743288) is N-[(2-amino-5-propylcyclohexyl)methyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[(2-amino-5-propylcyclohexyl)methyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[(2-amino-5-propylcyclohexyl)methyl]-N,2-dimethyloxolan-3-amine is CCCC1CCC(N)C(CN(C)C2CCOC2C)C1.
What is the InChIKey of N-[(2-amino-5-propylcyclohexyl)methyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is QWRYAOMDXTZBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-5-13-6-7-15(17)14(10-13)11-18(3)16-8-9-19-12(16)2/h12-16H,4-11,17H2,1-3H3.
What are the key properties of N-[(2-amino-5-propylcyclohexyl)methyl]-N,2-dimethyloxolan-3-amine?
N-[(2-amino-5-propylcyclohexyl)methyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 268.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-5-propylcyclohexyl)methyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82743288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).