4-methoxy-1-(4-methylazepan-1-yl)butan-2-amine

C12H26N2O — CID 63625635

IUPAC4-methoxy-1-(4-methylazepan-1-yl)butan-2-amine
SMILESCOCCC(N)CN1CCCC(C)CC1
InChIInChI=1S/C12H26N2O/c1-11-4-3-7-14(8-5-11)10-12(13)6-9-15-2/h11-12H,3-10,13H2,1-2H3
InChIKeyVUVREJXAKUDWHI-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds5

About 4-methoxy-1-(4-methylazepan-1-yl)butan-2-amine

4-methoxy-1-(4-methylazepan-1-yl)butan-2-amine (PubChem CID 63625635) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-methoxy-1-(4-methylazepan-1-yl)butan-2-amine.

Molecular Properties

Compound Name4-methoxy-1-(4-methylazepan-1-yl)butan-2-amine
PubChem CID63625635
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-methoxy-1-(4-methylazepan-1-yl)butan-2-amine
SMILESCOCCC(N)CN1CCCC(C)CC1
InChIInChI=1S/C12H26N2O/c1-11-4-3-7-14(8-5-11)10-12(13)6-9-15-2/h11-12H,3-10,13H2,1-2H3
InChIKeyVUVREJXAKUDWHI-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-methylazepan-1-yl)butan-2-amine?
The IUPAC name of 4-methoxy-1-(4-methylazepan-1-yl)butan-2-amine (CID 63625635) is 4-methoxy-1-(4-methylazepan-1-yl)butan-2-amine.
What is the SMILES notation for 4-methoxy-1-(4-methylazepan-1-yl)butan-2-amine?
The canonical SMILES for 4-methoxy-1-(4-methylazepan-1-yl)butan-2-amine is COCCC(N)CN1CCCC(C)CC1.
What is the InChIKey of 4-methoxy-1-(4-methylazepan-1-yl)butan-2-amine?
The InChIKey is VUVREJXAKUDWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11-4-3-7-14(8-5-11)10-12(13)6-9-15-2/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 4-methoxy-1-(4-methylazepan-1-yl)butan-2-amine?
4-methoxy-1-(4-methylazepan-1-yl)butan-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-methylazepan-1-yl)butan-2-amine is sourced from PubChem (CID 63625635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).