3-heptoxy-2,2-dimethylcyclobutan-1-amine

C13H27NO — CID 66359446

IUPAC3-heptoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCCCCCCOC1CC(N)C1(C)C
InChIInChI=1S/C13H27NO/c1-4-5-6-7-8-9-15-12-10-11(14)13(12,2)3/h11-12H,4-10,14H2,1-3H3
InChIKeyDEVYIKBECSTEPY-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.10
Rot. Bonds7

About 3-heptoxy-2,2-dimethylcyclobutan-1-amine

3-heptoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 66359446) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-heptoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-heptoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID66359446
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-heptoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCCCCCCOC1CC(N)C1(C)C
InChIInChI=1S/C13H27NO/c1-4-5-6-7-8-9-15-12-10-11(14)13(12,2)3/h11-12H,4-10,14H2,1-3H3
InChIKeyDEVYIKBECSTEPY-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-propoxycyclobutan-1-amine
CID 66357857
2,2-dimethyl-3-(4-methylpentoxy)cyclobutan-1-amine
CID 66357426
2-bromo-1,1-dimethyl-4-pentoxycyclobutane
CID 66346400
2,2-dimethyl-3-octan-2-yloxycyclobutan-1-amine
CID 66357818
cis-(1S,3R)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 95240984
cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine
CID 95757330
3-hexoxycyclopentan-1-amine
CID 79464533
2,2-diethyl-3-heptoxycyclobutan-1-ol
CID 66368150
2-bromo-1-ethyl-1-methyl-4-pentoxycyclobutane
CID 66343460
heptoxycyclopropane
CID 54099544
2-heptoxy-4-methylcyclohexan-1-amine
CID 43127507
4-decoxy-2,2,6,6-tetramethylpiperidine
CID 141105994

Frequently Asked Questions

What is the IUPAC name of 3-heptoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-heptoxy-2,2-dimethylcyclobutan-1-amine (CID 66359446) is 3-heptoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-heptoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-heptoxy-2,2-dimethylcyclobutan-1-amine is CCCCCCCOC1CC(N)C1(C)C.
What is the InChIKey of 3-heptoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is DEVYIKBECSTEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-5-6-7-8-9-15-12-10-11(14)13(12,2)3/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 3-heptoxy-2,2-dimethylcyclobutan-1-amine?
3-heptoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66359446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).