3-methoxyheptan-3-amine

C8H19NO — CID 87397184

IUPAC3-methoxyheptan-3-amine
SMILESCCCCC(N)(CC)OC
InChIInChI=1S/C8H19NO/c1-4-6-7-8(9,5-2)10-3/h4-7,9H2,1-3H3
InChIKeyRKLGCLLQHXNVGS-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.89
Rot. Bonds5

About 3-methoxyheptan-3-amine

3-methoxyheptan-3-amine (PubChem CID 87397184) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-methoxyheptan-3-amine.

Molecular Properties

Compound Name3-methoxyheptan-3-amine
PubChem CID87397184
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name3-methoxyheptan-3-amine
SMILESCCCCC(N)(CC)OC
InChIInChI=1S/C8H19NO/c1-4-6-7-8(9,5-2)10-3/h4-7,9H2,1-3H3
InChIKeyRKLGCLLQHXNVGS-UHFFFAOYSA-N
XLogP1.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-2-methoxy-2-methylnonan-5-amine
CID 103017124
3-ethylheptan-3-amine
CID 12708037
5-ethylnonan-5-amine;hydrochloride
CID 174766496
5-methoxy-5-(3-methoxypropyl)nonane
CID 141413448
5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481
1-chloropentane-1,1-diamine
CID 175198933
5-chlorononan-5-amine
CID 88596915
2-ethyl-2-methoxyhexanenitrile
CID 15495966
methyl 2-amino-2-butylhexanoate;hydrochloride
CID 162216697
5-[diethoxy(methyl)silyl]oxydecan-5-amine
CID 163643543
3,3-dimethoxynonane
CID 14785776
3-ethyl-3-methoxydecane
CID 89190150

Frequently Asked Questions

What is the IUPAC name of 3-methoxyheptan-3-amine?
The IUPAC name of 3-methoxyheptan-3-amine (CID 87397184) is 3-methoxyheptan-3-amine.
What is the SMILES notation for 3-methoxyheptan-3-amine?
The canonical SMILES for 3-methoxyheptan-3-amine is CCCCC(N)(CC)OC.
What is the InChIKey of 3-methoxyheptan-3-amine?
The InChIKey is RKLGCLLQHXNVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-6-7-8(9,5-2)10-3/h4-7,9H2,1-3H3.
What are the key properties of 3-methoxyheptan-3-amine?
3-methoxyheptan-3-amine has a molecular weight of 145.25 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyheptan-3-amine is sourced from PubChem (CID 87397184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).