4-amino-4-(3-hydroxypropyl)heptane-1,7-diol

C10H23NO3 — CID 4090108

IUPAC4-amino-4-(3-hydroxypropyl)heptane-1,7-diol
SMILESNC(CCCO)(CCCO)CCCO
InChIInChI=1S/C10H23NO3/c11-10(4-1-7-12,5-2-8-13)6-3-9-14/h12-14H,1-9,11H2
InChIKeyHACQKMWYOKGLET-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.00
Rot. Bonds9

About 4-amino-4-(3-hydroxypropyl)heptane-1,7-diol

4-amino-4-(3-hydroxypropyl)heptane-1,7-diol (PubChem CID 4090108) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-amino-4-(3-hydroxypropyl)heptane-1,7-diol.

Molecular Properties

Compound Name4-amino-4-(3-hydroxypropyl)heptane-1,7-diol
PubChem CID4090108
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name4-amino-4-(3-hydroxypropyl)heptane-1,7-diol
SMILESNC(CCCO)(CCCO)CCCO
InChIInChI=1S/C10H23NO3/c11-10(4-1-7-12,5-2-8-13)6-3-9-14/h12-14H,1-9,11H2
InChIKeyHACQKMWYOKGLET-UHFFFAOYSA-N
XLogP0.00
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(3-hydroxypropyl)heptane-1,7-diol?
The IUPAC name of 4-amino-4-(3-hydroxypropyl)heptane-1,7-diol (CID 4090108) is 4-amino-4-(3-hydroxypropyl)heptane-1,7-diol.
What is the SMILES notation for 4-amino-4-(3-hydroxypropyl)heptane-1,7-diol?
The canonical SMILES for 4-amino-4-(3-hydroxypropyl)heptane-1,7-diol is NC(CCCO)(CCCO)CCCO.
What is the InChIKey of 4-amino-4-(3-hydroxypropyl)heptane-1,7-diol?
The InChIKey is HACQKMWYOKGLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c11-10(4-1-7-12,5-2-8-13)6-3-9-14/h12-14H,1-9,11H2.
What are the key properties of 4-amino-4-(3-hydroxypropyl)heptane-1,7-diol?
4-amino-4-(3-hydroxypropyl)heptane-1,7-diol has a molecular weight of 205.30 g/mol, XLogP of 0.00, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(3-hydroxypropyl)heptane-1,7-diol is sourced from PubChem (CID 4090108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).