3-methoxy-N,2-dimethylheptan-4-amine

C10H23NO — CID 116719993

IUPAC3-methoxy-N,2-dimethylheptan-4-amine
SMILESCCCC(NC)C(OC)C(C)C
InChIInChI=1S/C10H23NO/c1-6-7-9(11-4)10(12-5)8(2)3/h8-11H,6-7H2,1-5H3
InChIKeyXEUTVFPBVAEZQQ-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.05
Rot. Bonds6

About 3-methoxy-N,2-dimethylheptan-4-amine

3-methoxy-N,2-dimethylheptan-4-amine (PubChem CID 116719993) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-methoxy-N,2-dimethylheptan-4-amine.

Molecular Properties

Compound Name3-methoxy-N,2-dimethylheptan-4-amine
PubChem CID116719993
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-methoxy-N,2-dimethylheptan-4-amine
SMILESCCCC(NC)C(OC)C(C)C
InChIInChI=1S/C10H23NO/c1-6-7-9(11-4)10(12-5)8(2)3/h8-11H,6-7H2,1-5H3
InChIKeyXEUTVFPBVAEZQQ-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methoxymethyl)-N,2-dimethylheptan-4-amine
CID 83048527
2-ethoxy-N-methylhexan-3-amine
CID 64534795
(4R)-3-methoxy-2-methylheptan-4-amine
CID 104932507
5-ethyl-3-methoxy-N,2-dimethylheptan-4-amine
CID 116720118
N,3-dimethyl-1-pentan-2-yloxybutan-2-amine
CID 102981288
(3-methoxy-2,7-dimethyloctan-4-yl)hydrazine
CID 105271928
N,5,8-trimethylnonan-4-amine
CID 83047737
1-[(2-hydroxy-2-methoxyethyl)amino]-2-(methylamino)pentan-1-ol
CID 163527672
4-methoxy-N-methyldecan-5-amine
CID 116718740
N,4,8,9-tetramethyldecan-5-amine
CID 123786159
1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine
CID 116720122
1,5-dimethoxy-N,3,6-trimethylheptan-4-amine
CID 116720146

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,2-dimethylheptan-4-amine?
The IUPAC name of 3-methoxy-N,2-dimethylheptan-4-amine (CID 116719993) is 3-methoxy-N,2-dimethylheptan-4-amine.
What is the SMILES notation for 3-methoxy-N,2-dimethylheptan-4-amine?
The canonical SMILES for 3-methoxy-N,2-dimethylheptan-4-amine is CCCC(NC)C(OC)C(C)C.
What is the InChIKey of 3-methoxy-N,2-dimethylheptan-4-amine?
The InChIKey is XEUTVFPBVAEZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-6-7-9(11-4)10(12-5)8(2)3/h8-11H,6-7H2,1-5H3.
What are the key properties of 3-methoxy-N,2-dimethylheptan-4-amine?
3-methoxy-N,2-dimethylheptan-4-amine has a molecular weight of 173.30 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,2-dimethylheptan-4-amine is sourced from PubChem (CID 116719993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).