1-tetradecoxypropan-1-amine;hydrobromide

C17H38BrNO — CID 173193932

IUPAC1-tetradecoxypropan-1-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCOC(N)CC
InChIInChI=1S/C17H37NO.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2;/h17H,3-16,18H2,1-2H3;1H
InChIKeyFAXULURAVJUWPB-UHFFFAOYSA-N
MW352.40 g/mol
LogP5.98
Rot. Bonds15

About 1-tetradecoxypropan-1-amine;hydrobromide

1-tetradecoxypropan-1-amine;hydrobromide (PubChem CID 173193932) has the molecular formula C17H38BrNO and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-tetradecoxypropan-1-amine;hydrobromide.

Molecular Properties

Compound Name1-tetradecoxypropan-1-amine;hydrobromide
PubChem CID173193932
Molecular FormulaC17H38BrNO
Molecular Weight352.40 g/mol
Exact Mass351.21
IUPAC Name1-tetradecoxypropan-1-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCOC(N)CC
InChIInChI=1S/C17H37NO.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2;/h17H,3-16,18H2,1-2H3;1H
InChIKeyFAXULURAVJUWPB-UHFFFAOYSA-N
XLogP5.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.40
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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CID 121414991
octoxymethanediamine
CID 142625053
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CID 22758954
1-amino-1-octoxypropan-2-ol
CID 174604466
1-pentoxybutane-1,4-diamine
CID 141071878
1-pentan-3-yloxydecane
CID 173279604
1-pentoxyethanamine
CID 57262541
1-heptacontoxyethanol
CID 169098461
1-(difluoromethoxy)decane
CID 14400535
1-heptoxypropan-1-ol
CID 19598529
1-(1-propoxypropoxy)hexane
CID 89482622

Frequently Asked Questions

What is the IUPAC name of 1-tetradecoxypropan-1-amine;hydrobromide?
The IUPAC name of 1-tetradecoxypropan-1-amine;hydrobromide (CID 173193932) is 1-tetradecoxypropan-1-amine;hydrobromide.
What is the SMILES notation for 1-tetradecoxypropan-1-amine;hydrobromide?
The canonical SMILES for 1-tetradecoxypropan-1-amine;hydrobromide is Br.CCCCCCCCCCCCCCOC(N)CC.
What is the InChIKey of 1-tetradecoxypropan-1-amine;hydrobromide?
The InChIKey is FAXULURAVJUWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2;/h17H,3-16,18H2,1-2H3;1H.
What are the key properties of 1-tetradecoxypropan-1-amine;hydrobromide?
1-tetradecoxypropan-1-amine;hydrobromide has a molecular weight of 352.40 g/mol, XLogP of 5.98, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetradecoxypropan-1-amine;hydrobromide is sourced from PubChem (CID 173193932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).