N,N-dimethyl-1-[oxan-4-yl(propylamino)methyl]cyclohexan-1-amine

C17H34N2O — CID 79066378

IUPACN,N-dimethyl-1-[oxan-4-yl(propylamino)methyl]cyclohexan-1-amine
SMILESCCCNC(C1CCOCC1)C1(N(C)C)CCCCC1
InChIInChI=1S/C17H34N2O/c1-4-12-18-16(15-8-13-20-14-9-15)17(19(2)3)10-6-5-7-11-17/h15-16,18H,4-14H2,1-3H3
InChIKeyDHSPQFDYHQHIMP-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.05
Rot. Bonds6

About N,N-dimethyl-1-[oxan-4-yl(propylamino)methyl]cyclohexan-1-amine

N,N-dimethyl-1-[oxan-4-yl(propylamino)methyl]cyclohexan-1-amine (PubChem CID 79066378) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N,N-dimethyl-1-[oxan-4-yl(propylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[oxan-4-yl(propylamino)methyl]cyclohexan-1-amine
PubChem CID79066378
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN,N-dimethyl-1-[oxan-4-yl(propylamino)methyl]cyclohexan-1-amine
SMILESCCCNC(C1CCOCC1)C1(N(C)C)CCCCC1
InChIInChI=1S/C17H34N2O/c1-4-12-18-16(15-8-13-20-14-9-15)17(19(2)3)10-6-5-7-11-17/h15-16,18H,4-14H2,1-3H3
InChIKeyDHSPQFDYHQHIMP-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[(4-methylcyclohexyl)-(propylamino)methyl]cyclopentan-1-amine
CID 79070623
1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79058669
1-[ethylamino-(4-methylcyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066377
1-[cyclopropyl(propylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074927
N,N-diethyl-1-[oxan-3-yl(propylamino)methyl]cyclopentan-1-amine
CID 107136596
1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066285
N,N-dimethyl-1-[methylamino(oxolan-3-yl)methyl]cyclopentan-1-amine
CID 79069983
N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766050
1-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79069853
N-[oxolan-3-yl-(1-piperidin-1-ylcyclopentyl)methyl]propan-1-amine
CID 79057766
1-[1-amino-2-(oxan-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79080920
1-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79570214

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[oxan-4-yl(propylamino)methyl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-1-[oxan-4-yl(propylamino)methyl]cyclohexan-1-amine (CID 79066378) is N,N-dimethyl-1-[oxan-4-yl(propylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[oxan-4-yl(propylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[oxan-4-yl(propylamino)methyl]cyclohexan-1-amine is CCCNC(C1CCOCC1)C1(N(C)C)CCCCC1.
What is the InChIKey of N,N-dimethyl-1-[oxan-4-yl(propylamino)methyl]cyclohexan-1-amine?
The InChIKey is DHSPQFDYHQHIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-12-18-16(15-8-13-20-14-9-15)17(19(2)3)10-6-5-7-11-17/h15-16,18H,4-14H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[oxan-4-yl(propylamino)methyl]cyclohexan-1-amine?
N,N-dimethyl-1-[oxan-4-yl(propylamino)methyl]cyclohexan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[oxan-4-yl(propylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79066378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).