1-amino-7-(7-amino-4-hydroxyheptoxy)heptan-4-ol

C14H32N2O3 — CID 57181303

IUPAC1-amino-7-(7-amino-4-hydroxyheptoxy)heptan-4-ol
SMILESNCCCC(O)CCCOCCCC(O)CCCN
InChIInChI=1S/C14H32N2O3/c15-9-1-5-13(17)7-3-11-19-12-4-8-14(18)6-2-10-16/h13-14,17-18H,1-12,15-16H2
InChIKeyMFRQKYMUZZIFRF-UHFFFAOYSA-N
MW276.42 g/mol
LogP0.76
Rot. Bonds14

About 1-amino-7-(7-amino-4-hydroxyheptoxy)heptan-4-ol

1-amino-7-(7-amino-4-hydroxyheptoxy)heptan-4-ol (PubChem CID 57181303) has the molecular formula C14H32N2O3 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-amino-7-(7-amino-4-hydroxyheptoxy)heptan-4-ol.

Molecular Properties

Compound Name1-amino-7-(7-amino-4-hydroxyheptoxy)heptan-4-ol
PubChem CID57181303
Molecular FormulaC14H32N2O3
Molecular Weight276.42 g/mol
Exact Mass276.24
IUPAC Name1-amino-7-(7-amino-4-hydroxyheptoxy)heptan-4-ol
SMILESNCCCC(O)CCCOCCCC(O)CCCN
InChIInChI=1S/C14H32N2O3/c15-9-1-5-13(17)7-3-11-19-12-4-8-14(18)6-2-10-16/h13-14,17-18H,1-12,15-16H2
InChIKeyMFRQKYMUZZIFRF-UHFFFAOYSA-N
XLogP0.76
TPSA101.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 86645443
3-[2-(4-methylpentoxy)ethoxy]propan-1-amine
CID 155228800
1-aminopentadecan-4-ol
CID 151480186
5-amino-2-[2-[6-amino-3-(hydroxymethyl)hexoxy]ethyl]pentan-1-ol
CID 56611362
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CID 129293593
12-(7-hydroxydodecoxy)dodecan-6-ol
CID 90689628
8-aminooctane-1,4-diol
CID 123424341
3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
CID 118897120
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033

Frequently Asked Questions

What is the IUPAC name of 1-amino-7-(7-amino-4-hydroxyheptoxy)heptan-4-ol?
The IUPAC name of 1-amino-7-(7-amino-4-hydroxyheptoxy)heptan-4-ol (CID 57181303) is 1-amino-7-(7-amino-4-hydroxyheptoxy)heptan-4-ol.
What is the SMILES notation for 1-amino-7-(7-amino-4-hydroxyheptoxy)heptan-4-ol?
The canonical SMILES for 1-amino-7-(7-amino-4-hydroxyheptoxy)heptan-4-ol is NCCCC(O)CCCOCCCC(O)CCCN.
What is the InChIKey of 1-amino-7-(7-amino-4-hydroxyheptoxy)heptan-4-ol?
The InChIKey is MFRQKYMUZZIFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O3/c15-9-1-5-13(17)7-3-11-19-12-4-8-14(18)6-2-10-16/h13-14,17-18H,1-12,15-16H2.
What are the key properties of 1-amino-7-(7-amino-4-hydroxyheptoxy)heptan-4-ol?
1-amino-7-(7-amino-4-hydroxyheptoxy)heptan-4-ol has a molecular weight of 276.42 g/mol, XLogP of 0.76, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7-(7-amino-4-hydroxyheptoxy)heptan-4-ol is sourced from PubChem (CID 57181303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).