3-amino-1-pentoxypropan-1-ol;pentan-1-amine

C13H32N2O2 — CID 88847262

IUPAC3-amino-1-pentoxypropan-1-ol;pentan-1-amine
SMILESCCCCCN.CCCCCOC(O)CCN
InChIInChI=1S/C8H19NO2.C5H13N/c1-2-3-4-7-11-8(10)5-6-9;1-2-3-4-5-6/h8,10H,2-7,9H2,1H3;2-6H2,1H3
InChIKeyMGEAWDVVOPFXTR-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.00
Rot. Bonds10

About 3-amino-1-pentoxypropan-1-ol;pentan-1-amine

3-amino-1-pentoxypropan-1-ol;pentan-1-amine (PubChem CID 88847262) has the molecular formula C13H32N2O2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 3-amino-1-pentoxypropan-1-ol;pentan-1-amine.

Molecular Properties

Compound Name3-amino-1-pentoxypropan-1-ol;pentan-1-amine
PubChem CID88847262
Molecular FormulaC13H32N2O2
Molecular Weight248.41 g/mol
Exact Mass248.25
IUPAC Name3-amino-1-pentoxypropan-1-ol;pentan-1-amine
SMILESCCCCCN.CCCCCOC(O)CCN
InChIInChI=1S/C8H19NO2.C5H13N/c1-2-3-4-7-11-8(10)5-6-9;1-2-3-4-5-6/h8,10H,2-7,9H2,1H3;2-6H2,1H3
InChIKeyMGEAWDVVOPFXTR-UHFFFAOYSA-N
XLogP2.00
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1-undecoxybutan-1-ol
CID 139971924
3-chloro-1-pentoxypropan-1-ol
CID 174943404
1-icosoxybutane-1,4-diol
CID 175387447
1-(4-hexoxybutoxy)butan-1-ol
CID 141002472
1-dodecoxy-3-sulfanylpropan-1-ol
CID 170259722
4-amino-4-(aminomethyl)-1,7-didodecoxyheptane-1,7-diol
CID 175410347
1-undecoxypropan-1-ol
CID 139971923
1-heptoxypropan-1-ol
CID 19598529
4,4-di(tetradecoxy)butan-1-amine
CID 87630255
4,4-dioctadecoxybutan-1-amine
CID 87498240
1-pentoxybutane-1,4-diamine
CID 141071878
4-aminobutan-2-ol;octan-1-amine
CID 21412295

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-pentoxypropan-1-ol;pentan-1-amine?
The IUPAC name of 3-amino-1-pentoxypropan-1-ol;pentan-1-amine (CID 88847262) is 3-amino-1-pentoxypropan-1-ol;pentan-1-amine.
What is the SMILES notation for 3-amino-1-pentoxypropan-1-ol;pentan-1-amine?
The canonical SMILES for 3-amino-1-pentoxypropan-1-ol;pentan-1-amine is CCCCCN.CCCCCOC(O)CCN.
What is the InChIKey of 3-amino-1-pentoxypropan-1-ol;pentan-1-amine?
The InChIKey is MGEAWDVVOPFXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2.C5H13N/c1-2-3-4-7-11-8(10)5-6-9;1-2-3-4-5-6/h8,10H,2-7,9H2,1H3;2-6H2,1H3.
What are the key properties of 3-amino-1-pentoxypropan-1-ol;pentan-1-amine?
3-amino-1-pentoxypropan-1-ol;pentan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 2.00, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-pentoxypropan-1-ol;pentan-1-amine is sourced from PubChem (CID 88847262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).