N,N-dimethyl-1-[1-(methylamino)-3-(oxolan-2-yl)propyl]cycloheptan-1-amine

C17H34N2O — CID 79081781

IUPACN,N-dimethyl-1-[1-(methylamino)-3-(oxolan-2-yl)propyl]cycloheptan-1-amine
SMILESCNC(CCC1CCCO1)C1(N(C)C)CCCCCC1
InChIInChI=1S/C17H34N2O/c1-18-16(11-10-15-9-8-14-20-15)17(19(2)3)12-6-4-5-7-13-17/h15-16,18H,4-14H2,1-3H3
InChIKeyLDLNPVVGYVUTLZ-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.19
Rot. Bonds6

About N,N-dimethyl-1-[1-(methylamino)-3-(oxolan-2-yl)propyl]cycloheptan-1-amine

N,N-dimethyl-1-[1-(methylamino)-3-(oxolan-2-yl)propyl]cycloheptan-1-amine (PubChem CID 79081781) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-(methylamino)-3-(oxolan-2-yl)propyl]cycloheptan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-(methylamino)-3-(oxolan-2-yl)propyl]cycloheptan-1-amine
PubChem CID79081781
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN,N-dimethyl-1-[1-(methylamino)-3-(oxolan-2-yl)propyl]cycloheptan-1-amine
SMILESCNC(CCC1CCCO1)C1(N(C)C)CCCCCC1
InChIInChI=1S/C17H34N2O/c1-18-16(11-10-15-9-8-14-20-15)17(19(2)3)12-6-4-5-7-13-17/h15-16,18H,4-14H2,1-3H3
InChIKeyLDLNPVVGYVUTLZ-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine
CID 79066074
N-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 106830218
1-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine
CID 79061604
1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol
CID 79067154
1-(1-ethoxycyclopentyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 116761965
1-(3-cyclopropyl-1-hydrazinylpropyl)-N,N-dimethylcyclopentan-1-amine
CID 105242456
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
1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine
CID 65164288
N-methyl-1-(3-methyl-1-adamantyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993529
[1-[1-(2-methylpropyl)cyclopentyl]-4-(oxolan-2-yl)butyl]hydrazine
CID 105314113
1-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79562721

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-(methylamino)-3-(oxolan-2-yl)propyl]cycloheptan-1-amine?
The IUPAC name of N,N-dimethyl-1-[1-(methylamino)-3-(oxolan-2-yl)propyl]cycloheptan-1-amine (CID 79081781) is N,N-dimethyl-1-[1-(methylamino)-3-(oxolan-2-yl)propyl]cycloheptan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[1-(methylamino)-3-(oxolan-2-yl)propyl]cycloheptan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[1-(methylamino)-3-(oxolan-2-yl)propyl]cycloheptan-1-amine is CNC(CCC1CCCO1)C1(N(C)C)CCCCCC1.
What is the InChIKey of N,N-dimethyl-1-[1-(methylamino)-3-(oxolan-2-yl)propyl]cycloheptan-1-amine?
The InChIKey is LDLNPVVGYVUTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-18-16(11-10-15-9-8-14-20-15)17(19(2)3)12-6-4-5-7-13-17/h15-16,18H,4-14H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[1-(methylamino)-3-(oxolan-2-yl)propyl]cycloheptan-1-amine?
N,N-dimethyl-1-[1-(methylamino)-3-(oxolan-2-yl)propyl]cycloheptan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 3.19, 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-[1-(methylamino)-3-(oxolan-2-yl)propyl]cycloheptan-1-amine is sourced from PubChem (CID 79081781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).