4-propylheptan-4-yloxymethanamine

C11H25NO — CID 23136762

IUPAC4-propylheptan-4-yloxymethanamine
SMILESCCCC(CCC)(CCC)OCN
InChIInChI=1S/C11H25NO/c1-4-7-11(8-5-2,9-6-3)13-10-12/h4-10,12H2,1-3H3
InChIKeyGYGOTIVWLHNOFV-UHFFFAOYSA-N
MW187.33 g/mol
LogP3.06
Rot. Bonds8

About 4-propylheptan-4-yloxymethanamine

4-propylheptan-4-yloxymethanamine (PubChem CID 23136762) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 4-propylheptan-4-yloxymethanamine.

Molecular Properties

Compound Name4-propylheptan-4-yloxymethanamine
PubChem CID23136762
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name4-propylheptan-4-yloxymethanamine
SMILESCCCC(CCC)(CCC)OCN
InChIInChI=1S/C11H25NO/c1-4-7-11(8-5-2,9-6-3)13-10-12/h4-10,12H2,1-3H3
InChIKeyGYGOTIVWLHNOFV-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 53.06
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

1,1-bis(aminomethoxy)butoxymethanamine
CID 57155830
2-[1,1-bis(2-aminoethoxy)butoxy]ethanamine
CID 151090377
5-propylnonan-5-yloxyphosphane
CID 23352969
2-[2-(4-propylheptan-4-yloxy)ethoxy]ethylphosphane
CID 87508525
3-[4-(aminomethyl)heptan-4-yloxy]butan-2-ol
CID 103377078
4-methoxy-4-(methoxymethyl)heptane
CID 174395749
4,4-bis(2-methylpropoxy)heptane
CID 89439666
11-propyl-11-(11-propylhenicosan-11-ylperoxy)henicosane
CID 155668142
1-chloro-2,2-diethoxypentane
CID 174444094
3-[(3S)-2,2,3-trimethylhexan-3-yl]oxypropan-1-amine
CID 138567145
10-methoxy-10-propyltricosane
CID 159618690
10-decoxy-10-nonylnonadecane
CID 150430521

Frequently Asked Questions

What is the IUPAC name of 4-propylheptan-4-yloxymethanamine?
The IUPAC name of 4-propylheptan-4-yloxymethanamine (CID 23136762) is 4-propylheptan-4-yloxymethanamine.
What is the SMILES notation for 4-propylheptan-4-yloxymethanamine?
The canonical SMILES for 4-propylheptan-4-yloxymethanamine is CCCC(CCC)(CCC)OCN.
What is the InChIKey of 4-propylheptan-4-yloxymethanamine?
The InChIKey is GYGOTIVWLHNOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-7-11(8-5-2,9-6-3)13-10-12/h4-10,12H2,1-3H3.
What are the key properties of 4-propylheptan-4-yloxymethanamine?
4-propylheptan-4-yloxymethanamine has a molecular weight of 187.33 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylheptan-4-yloxymethanamine is sourced from PubChem (CID 23136762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).