N-[(3S)-6-amino-2-methylhex-1-en-3-yl]acetamide

C9H18N2O — CID 89028667

IUPACN-[(3S)-6-amino-2-methylhex-1-en-3-yl]acetamide
SMILESC=C(C)[C@H](CCCN)NC(C)=O
InChIInChI=1S/C9H18N2O/c1-7(2)9(5-4-6-10)11-8(3)12/h9H,1,4-6,10H2,2-3H3,(H,11,12)/t9-/m0/s1
InChIKeyLKHRQSGRWJSMNK-VIFPVBQESA-N
MW170.26 g/mol
LogP0.81
Rot. Bonds5

About N-[(3S)-6-amino-2-methylhex-1-en-3-yl]acetamide

N-[(3S)-6-amino-2-methylhex-1-en-3-yl]acetamide (PubChem CID 89028667) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[(3S)-6-amino-2-methylhex-1-en-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-6-amino-2-methylhex-1-en-3-yl]acetamide
PubChem CID89028667
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[(3S)-6-amino-2-methylhex-1-en-3-yl]acetamide
SMILESC=C(C)[C@H](CCCN)NC(C)=O
InChIInChI=1S/C9H18N2O/c1-7(2)9(5-4-6-10)11-8(3)12/h9H,1,4-6,10H2,2-3H3,(H,11,12)/t9-/m0/s1
InChIKeyLKHRQSGRWJSMNK-VIFPVBQESA-N
XLogP0.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-6-amino-2-methylhex-1-en-3-yl]acetamide?
The IUPAC name of N-[(3S)-6-amino-2-methylhex-1-en-3-yl]acetamide (CID 89028667) is N-[(3S)-6-amino-2-methylhex-1-en-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-6-amino-2-methylhex-1-en-3-yl]acetamide?
The canonical SMILES for N-[(3S)-6-amino-2-methylhex-1-en-3-yl]acetamide is C=C(C)[C@H](CCCN)NC(C)=O.
What is the InChIKey of N-[(3S)-6-amino-2-methylhex-1-en-3-yl]acetamide?
The InChIKey is LKHRQSGRWJSMNK-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)9(5-4-6-10)11-8(3)12/h9H,1,4-6,10H2,2-3H3,(H,11,12)/t9-/m0/s1.
What are the key properties of N-[(3S)-6-amino-2-methylhex-1-en-3-yl]acetamide?
N-[(3S)-6-amino-2-methylhex-1-en-3-yl]acetamide has a molecular weight of 170.26 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-6-amino-2-methylhex-1-en-3-yl]acetamide is sourced from PubChem (CID 89028667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).