4-amino-1-iodo-6-(propylideneamino)heptan-2-ol

C10H21IN2O — CID 163599563

IUPAC4-amino-1-iodo-6-(propylideneamino)heptan-2-ol
SMILESCC/C=N/C(C)CC(N)CC(O)CI
InChIInChI=1S/C10H21IN2O/c1-3-4-13-8(2)5-9(12)6-10(14)7-11/h4,8-10,14H,3,5-7,12H2,1-2H3/b13-4+
InChIKeyGWKRDZSMRAEGPE-YIXHJXPBSA-N
MW312.20 g/mol
LogP1.76
Rot. Bonds7

About 4-amino-1-iodo-6-(propylideneamino)heptan-2-ol

4-amino-1-iodo-6-(propylideneamino)heptan-2-ol (PubChem CID 163599563) has the molecular formula C10H21IN2O and a molecular weight of 312.20 g/mol. Its IUPAC name is 4-amino-1-iodo-6-(propylideneamino)heptan-2-ol.

Molecular Properties

Compound Name4-amino-1-iodo-6-(propylideneamino)heptan-2-ol
PubChem CID163599563
Molecular FormulaC10H21IN2O
Molecular Weight312.20 g/mol
Exact Mass312.07
IUPAC Name4-amino-1-iodo-6-(propylideneamino)heptan-2-ol
SMILESCC/C=N/C(C)CC(N)CC(O)CI
InChIInChI=1S/C10H21IN2O/c1-3-4-13-8(2)5-9(12)6-10(14)7-11/h4,8-10,14H,3,5-7,12H2,1-2H3/b13-4+
InChIKeyGWKRDZSMRAEGPE-YIXHJXPBSA-N
XLogP1.76
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-iodo-6-(propylideneamino)heptan-2-ol?
The IUPAC name of 4-amino-1-iodo-6-(propylideneamino)heptan-2-ol (CID 163599563) is 4-amino-1-iodo-6-(propylideneamino)heptan-2-ol.
What is the SMILES notation for 4-amino-1-iodo-6-(propylideneamino)heptan-2-ol?
The canonical SMILES for 4-amino-1-iodo-6-(propylideneamino)heptan-2-ol is CC/C=N/C(C)CC(N)CC(O)CI.
What is the InChIKey of 4-amino-1-iodo-6-(propylideneamino)heptan-2-ol?
The InChIKey is GWKRDZSMRAEGPE-YIXHJXPBSA-N. The full InChI is InChI=1S/C10H21IN2O/c1-3-4-13-8(2)5-9(12)6-10(14)7-11/h4,8-10,14H,3,5-7,12H2,1-2H3/b13-4+.
What are the key properties of 4-amino-1-iodo-6-(propylideneamino)heptan-2-ol?
4-amino-1-iodo-6-(propylideneamino)heptan-2-ol has a molecular weight of 312.20 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-iodo-6-(propylideneamino)heptan-2-ol is sourced from PubChem (CID 163599563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).