azane;[(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid

C14H28N2O3 — CID 67095638

IUPACazane;[(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid
SMILESC=CC([C@H]1CC[C@@H](N(C)C(=O)O)CO1)C(C)(C)C.N
InChIInChI=1S/C14H25NO3.H3N/c1-6-11(14(2,3)4)12-8-7-10(9-18-12)15(5)13(16)17;/h6,10-12H,1,7-9H2,2-5H3,(H,16,17);1H3/t10-,11?,12-;/m1./s1
InChIKeyQPEXFYUKYGIKME-ZZCQIGCDSA-N
MW272.39 g/mol
LogP3.15
Rot. Bonds3

About azane;[(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid

azane;[(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid (PubChem CID 67095638) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is azane;[(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid.

Molecular Properties

Compound Nameazane;[(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid
PubChem CID67095638
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nameazane;[(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid
SMILESC=CC([C@H]1CC[C@@H](N(C)C(=O)O)CO1)C(C)(C)C.N
InChIInChI=1S/C14H25NO3.H3N/c1-6-11(14(2,3)4)12-8-7-10(9-18-12)15(5)13(16)17;/h6,10-12H,1,7-9H2,2-5H3,(H,16,17);1H3/t10-,11?,12-;/m1./s1
InChIKeyQPEXFYUKYGIKME-ZZCQIGCDSA-N
XLogP3.15
TPSA84.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 azane;[(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid?
The IUPAC name of azane;[(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid (CID 67095638) is azane;[(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid.
What is the SMILES notation for azane;[(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid?
The canonical SMILES for azane;[(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid is C=CC([C@H]1CC[C@@H](N(C)C(=O)O)CO1)C(C)(C)C.N.
What is the InChIKey of azane;[(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid?
The InChIKey is QPEXFYUKYGIKME-ZZCQIGCDSA-N. The full InChI is InChI=1S/C14H25NO3.H3N/c1-6-11(14(2,3)4)12-8-7-10(9-18-12)15(5)13(16)17;/h6,10-12H,1,7-9H2,2-5H3,(H,16,17);1H3/t10-,11?,12-;/m1./s1.
What are the key properties of azane;[(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid?
azane;[(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid has a molecular weight of 272.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;[(3R,6R)-6-(4,4-dimethylpent-1-en-3-yl)oxan-3-yl]-methylcarbamic acid is sourced from PubChem (CID 67095638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).