2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine

C16H32N2O — CID 62615673

IUPAC2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CN(C)CC1CCCO1
InChIInChI=1S/C16H32N2O/c1-3-10-17-16-9-5-4-7-14(16)12-18(2)13-15-8-6-11-19-15/h14-17H,3-13H2,1-2H3
InChIKeyLWHMUPCEXASZBN-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds7

About 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine

2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine (PubChem CID 62615673) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine
PubChem CID62615673
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CN(C)CC1CCCO1
InChIInChI=1S/C16H32N2O/c1-3-10-17-16-9-5-4-7-14(16)12-18(2)13-15-8-6-11-19-15/h14-17H,3-13H2,1-2H3
InChIKeyLWHMUPCEXASZBN-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(oxolan-2-yl)ethyl]-N-propylcyclopentan-1-amine
CID 65163066
N'-methyl-N-(2-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62554913
N,4-diethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62609986
2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62614770
N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine
CID 104856033
2-[[cyclohexyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615295
2-[[cycloheptyl(methyl)amino]methyl]-N-propylcycloheptan-1-amine
CID 63493452
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
N-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxolan-3-amine
CID 66246167
N'-methyl-N'-(oxolan-2-ylmethyl)-N-propylbutane-1,4-diamine
CID 62435535
2-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethylcyclopentan-1-amine
CID 63631296
cis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine
CID 124710143

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine (CID 62615673) is 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1CN(C)CC1CCCO1.
What is the InChIKey of 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine?
The InChIKey is LWHMUPCEXASZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-10-17-16-9-5-4-7-14(16)12-18(2)13-15-8-6-11-19-15/h14-17H,3-13H2,1-2H3.
What are the key properties of 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine?
2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62615673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).