N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine

C8H17NO — CID 7446803

IUPACN-[[(2S)-oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNC[C@@H]1CCCO1
InChIInChI=1S/C8H17NO/c1-2-5-9-7-8-4-3-6-10-8/h8-9H,2-7H2,1H3/t8-/m0/s1
InChIKeyIKOSVGABACUJCD-QMMMGPOBSA-N
MW143.23 g/mol
LogP1.16
Rot. Bonds4

About N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine

N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine (PubChem CID 7446803) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]propan-1-amine
PubChem CID7446803
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNC[C@@H]1CCCO1
InChIInChI=1S/C8H17NO/c1-2-5-9-7-8-4-3-6-10-8/h8-9H,2-7H2,1H3/t8-/m0/s1
InChIKeyIKOSVGABACUJCD-QMMMGPOBSA-N
XLogP1.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine (CID 7446803) is N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine is CCCNC[C@@H]1CCCO1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is IKOSVGABACUJCD-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-5-9-7-8-4-3-6-10-8/h8-9H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine?
N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 7446803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).