butane;3-(methoxymethyl)heptan-4-amine

C13H31NO — CID 144526496

IUPACbutane;3-(methoxymethyl)heptan-4-amine
SMILESCCCC.CCCC(N)C(CC)COC
InChIInChI=1S/C9H21NO.C4H10/c1-4-6-9(10)8(5-2)7-11-3;1-3-4-2/h8-9H,4-7,10H2,1-3H3;3-4H2,1-2H3
InChIKeySDWZFHMMLJZYNZ-UHFFFAOYSA-N
MW217.40 g/mol
LogP3.59
Rot. Bonds7

About butane;3-(methoxymethyl)heptan-4-amine

butane;3-(methoxymethyl)heptan-4-amine (PubChem CID 144526496) has the molecular formula C13H31NO and a molecular weight of 217.40 g/mol. Its IUPAC name is butane;3-(methoxymethyl)heptan-4-amine.

Molecular Properties

Compound Namebutane;3-(methoxymethyl)heptan-4-amine
PubChem CID144526496
Molecular FormulaC13H31NO
Molecular Weight217.40 g/mol
Exact Mass217.24
IUPAC Namebutane;3-(methoxymethyl)heptan-4-amine
SMILESCCCC.CCCC(N)C(CC)COC
InChIInChI=1S/C9H21NO.C4H10/c1-4-6-9(10)8(5-2)7-11-3;1-3-4-2/h8-9H,4-7,10H2,1-3H3;3-4H2,1-2H3
InChIKeySDWZFHMMLJZYNZ-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butane;3-(methoxymethyl)heptan-4-amine?
The IUPAC name of butane;3-(methoxymethyl)heptan-4-amine (CID 144526496) is butane;3-(methoxymethyl)heptan-4-amine.
What is the SMILES notation for butane;3-(methoxymethyl)heptan-4-amine?
The canonical SMILES for butane;3-(methoxymethyl)heptan-4-amine is CCCC.CCCC(N)C(CC)COC.
What is the InChIKey of butane;3-(methoxymethyl)heptan-4-amine?
The InChIKey is SDWZFHMMLJZYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO.C4H10/c1-4-6-9(10)8(5-2)7-11-3;1-3-4-2/h8-9H,4-7,10H2,1-3H3;3-4H2,1-2H3.
What are the key properties of butane;3-(methoxymethyl)heptan-4-amine?
butane;3-(methoxymethyl)heptan-4-amine has a molecular weight of 217.40 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;3-(methoxymethyl)heptan-4-amine is sourced from PubChem (CID 144526496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).