7,7-di(propan-2-yloxy)heptan-1-amine

C13H29NO2 — CID 19069536

IUPAC7,7-di(propan-2-yloxy)heptan-1-amine
SMILESCC(C)OC(CCCCCCN)OC(C)C
InChIInChI=1S/C13H29NO2/c1-11(2)15-13(16-12(3)4)9-7-5-6-8-10-14/h11-13H,5-10,14H2,1-4H3
InChIKeyJRNRDVWIVJKCEM-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.07
Rot. Bonds10

About 7,7-di(propan-2-yloxy)heptan-1-amine

7,7-di(propan-2-yloxy)heptan-1-amine (PubChem CID 19069536) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 7,7-di(propan-2-yloxy)heptan-1-amine.

Molecular Properties

Compound Name7,7-di(propan-2-yloxy)heptan-1-amine
PubChem CID19069536
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name7,7-di(propan-2-yloxy)heptan-1-amine
SMILESCC(C)OC(CCCCCCN)OC(C)C
InChIInChI=1S/C13H29NO2/c1-11(2)15-13(16-12(3)4)9-7-5-6-8-10-14/h11-13H,5-10,14H2,1-4H3
InChIKeyJRNRDVWIVJKCEM-UHFFFAOYSA-N
XLogP3.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9,9-di(propan-2-yloxy)nonyl-methylsilane
CID 71406282
36-methylheptatriacontan-1-amine
CID 134324173
18-methylnonadecan-1-amine;hydrochloride
CID 173047380
(8S)-nonane-1,8-diamine
CID 87205838
decane-1,9-diamine
CID 23448369
undecane-1,10-diamine
CID 140782210
3,4-dimethyldecane-1,10-diamine
CID 118234620
6-fluoroheptan-1-amine
CID 83855129
14-aminotetradecane-1,1-diol
CID 87370531
6-(3-aminopropoxy)heptan-1-amine
CID 142972624
2-methyldecane-1,1,10-triamine
CID 175230718
pentacosane-1,13,25-triamine
CID 174653759

Frequently Asked Questions

What is the IUPAC name of 7,7-di(propan-2-yloxy)heptan-1-amine?
The IUPAC name of 7,7-di(propan-2-yloxy)heptan-1-amine (CID 19069536) is 7,7-di(propan-2-yloxy)heptan-1-amine.
What is the SMILES notation for 7,7-di(propan-2-yloxy)heptan-1-amine?
The canonical SMILES for 7,7-di(propan-2-yloxy)heptan-1-amine is CC(C)OC(CCCCCCN)OC(C)C.
What is the InChIKey of 7,7-di(propan-2-yloxy)heptan-1-amine?
The InChIKey is JRNRDVWIVJKCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-11(2)15-13(16-12(3)4)9-7-5-6-8-10-14/h11-13H,5-10,14H2,1-4H3.
What are the key properties of 7,7-di(propan-2-yloxy)heptan-1-amine?
7,7-di(propan-2-yloxy)heptan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-di(propan-2-yloxy)heptan-1-amine is sourced from PubChem (CID 19069536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).