3-aminopropan-1-ol;cyclooctanamine

C11H26N2O — CID 22649733

IUPAC3-aminopropan-1-ol;cyclooctanamine
SMILESNC1CCCCCCC1.NCCCO
InChIInChI=1S/C8H17N.C3H9NO/c9-8-6-4-2-1-3-5-7-8;4-2-1-3-5/h8H,1-7,9H2;5H,1-4H2
InChIKeyKDLRXPHUJHQCDZ-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.39
Rot. Bonds2

About 3-aminopropan-1-ol;cyclooctanamine

3-aminopropan-1-ol;cyclooctanamine (PubChem CID 22649733) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-aminopropan-1-ol;cyclooctanamine.

Molecular Properties

Compound Name3-aminopropan-1-ol;cyclooctanamine
PubChem CID22649733
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name3-aminopropan-1-ol;cyclooctanamine
SMILESNC1CCCCCCC1.NCCCO
InChIInChI=1S/C8H17N.C3H9NO/c9-8-6-4-2-1-3-5-7-8;4-2-1-3-5/h8H,1-7,9H2;5H,1-4H2
InChIKeyKDLRXPHUJHQCDZ-UHFFFAOYSA-N
XLogP1.39
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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3-aminopropan-1-ol;ethane
CID 91172061
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CID 143520299
bis(cycloheptanamine);platinum(2+);dichloride
CID 3038593
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CID 173357693
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CID 175698442

Frequently Asked Questions

What is the IUPAC name of 3-aminopropan-1-ol;cyclooctanamine?
The IUPAC name of 3-aminopropan-1-ol;cyclooctanamine (CID 22649733) is 3-aminopropan-1-ol;cyclooctanamine.
What is the SMILES notation for 3-aminopropan-1-ol;cyclooctanamine?
The canonical SMILES for 3-aminopropan-1-ol;cyclooctanamine is NC1CCCCCCC1.NCCCO.
What is the InChIKey of 3-aminopropan-1-ol;cyclooctanamine?
The InChIKey is KDLRXPHUJHQCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C3H9NO/c9-8-6-4-2-1-3-5-7-8;4-2-1-3-5/h8H,1-7,9H2;5H,1-4H2.
What are the key properties of 3-aminopropan-1-ol;cyclooctanamine?
3-aminopropan-1-ol;cyclooctanamine has a molecular weight of 202.34 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropan-1-ol;cyclooctanamine is sourced from PubChem (CID 22649733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).