N-(1-methoxypropan-2-yl)-N-methylazepan-3-amine

C11H24N2O — CID 62642462

IUPACN-(1-methoxypropan-2-yl)-N-methylazepan-3-amine
SMILESCOCC(C)N(C)C1CCCCNC1
InChIInChI=1S/C11H24N2O/c1-10(9-14-3)13(2)11-6-4-5-7-12-8-11/h10-12H,4-9H2,1-3H3
InChIKeyWILJXFMYRYLLHZ-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.10
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-N-methylazepan-3-amine

N-(1-methoxypropan-2-yl)-N-methylazepan-3-amine (PubChem CID 62642462) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-N-methylazepan-3-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-N-methylazepan-3-amine
PubChem CID62642462
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-(1-methoxypropan-2-yl)-N-methylazepan-3-amine
SMILESCOCC(C)N(C)C1CCCCNC1
InChIInChI=1S/C11H24N2O/c1-10(9-14-3)13(2)11-6-4-5-7-12-8-11/h10-12H,4-9H2,1-3H3
InChIKeyWILJXFMYRYLLHZ-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-N-methyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 61452791
(3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride
CID 135207468
N-heptan-4-yl-N-methylpiperidin-3-amine
CID 63644400
2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol
CID 104556943
(3S)-N,N-dimethylazepan-3-amine;dihydrochloride
CID 170898378
N-ethyl-N-(3-methoxy-2-methylpropyl)pyrrolidin-3-amine
CID 116502156
N-(1-methoxypropan-2-yl)-N-methyl-3-piperidin-3-ylbutanamide
CID 81043666
1-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 106623955
1-N-(1-methoxypropan-2-yl)-1-N-methyl-3-N-propylcyclohexane-1,3-diamine
CID 79617934
N,N-diethyl-2-[methyl(piperidin-3-yl)amino]propanamide
CID 55248539
ethyl 2-[methyl(pyrrolidin-3-yl)amino]propanoate
CID 63301878
N-methyl-N-(2-methylpropyl)piperidin-3-amine
CID 43317078

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-N-methylazepan-3-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-N-methylazepan-3-amine (CID 62642462) is N-(1-methoxypropan-2-yl)-N-methylazepan-3-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-N-methylazepan-3-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-N-methylazepan-3-amine is COCC(C)N(C)C1CCCCNC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-N-methylazepan-3-amine?
The InChIKey is WILJXFMYRYLLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(9-14-3)13(2)11-6-4-5-7-12-8-11/h10-12H,4-9H2,1-3H3.
What are the key properties of N-(1-methoxypropan-2-yl)-N-methylazepan-3-amine?
N-(1-methoxypropan-2-yl)-N-methylazepan-3-amine has a molecular weight of 200.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-N-methylazepan-3-amine is sourced from PubChem (CID 62642462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).