N-[[(2S)-oxan-2-yl]methyl]but-1-en-2-amine

C10H19NO — CID 146552953

IUPACN-[[(2S)-oxan-2-yl]methyl]but-1-en-2-amine
SMILESC=C(CC)NC[C@@H]1CCCCO1
InChIInChI=1S/C10H19NO/c1-3-9(2)11-8-10-6-4-5-7-12-10/h10-11H,2-8H2,1H3/t10-/m0/s1
InChIKeyHQPZNGXKJAJOED-JTQLQIEISA-N
MW169.27 g/mol
LogP2.07
Rot. Bonds4

About N-[[(2S)-oxan-2-yl]methyl]but-1-en-2-amine

N-[[(2S)-oxan-2-yl]methyl]but-1-en-2-amine (PubChem CID 146552953) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[[(2S)-oxan-2-yl]methyl]but-1-en-2-amine.

Molecular Properties

Compound NameN-[[(2S)-oxan-2-yl]methyl]but-1-en-2-amine
PubChem CID146552953
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-[[(2S)-oxan-2-yl]methyl]but-1-en-2-amine
SMILESC=C(CC)NC[C@@H]1CCCCO1
InChIInChI=1S/C10H19NO/c1-3-9(2)11-8-10-6-4-5-7-12-10/h10-11H,2-8H2,1H3/t10-/m0/s1
InChIKeyHQPZNGXKJAJOED-JTQLQIEISA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxan-2-yl]methyl]but-1-en-2-amine?
The IUPAC name of N-[[(2S)-oxan-2-yl]methyl]but-1-en-2-amine (CID 146552953) is N-[[(2S)-oxan-2-yl]methyl]but-1-en-2-amine.
What is the SMILES notation for N-[[(2S)-oxan-2-yl]methyl]but-1-en-2-amine?
The canonical SMILES for N-[[(2S)-oxan-2-yl]methyl]but-1-en-2-amine is C=C(CC)NC[C@@H]1CCCCO1.
What is the InChIKey of N-[[(2S)-oxan-2-yl]methyl]but-1-en-2-amine?
The InChIKey is HQPZNGXKJAJOED-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19NO/c1-3-9(2)11-8-10-6-4-5-7-12-10/h10-11H,2-8H2,1H3/t10-/m0/s1.
What are the key properties of N-[[(2S)-oxan-2-yl]methyl]but-1-en-2-amine?
N-[[(2S)-oxan-2-yl]methyl]but-1-en-2-amine has a molecular weight of 169.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxan-2-yl]methyl]but-1-en-2-amine is sourced from PubChem (CID 146552953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).