N-[(3R)-5-amino-3-methylpentyl]-N-methylformamide;ethane

C10H24N2O — CID 145154222

IUPACN-[(3R)-5-amino-3-methylpentyl]-N-methylformamide;ethane
SMILESCC.C[C@H](CCN)CCN(C)C=O
InChIInChI=1S/C8H18N2O.C2H6/c1-8(3-5-9)4-6-10(2)7-11;1-2/h7-8H,3-6,9H2,1-2H3;1-2H3/t8-;/m1./s1
InChIKeyBPTZLKNCXFOBJJ-DDWIOCJRSA-N
MW188.31 g/mol
LogP1.48
Rot. Bonds6

About N-[(3R)-5-amino-3-methylpentyl]-N-methylformamide;ethane

N-[(3R)-5-amino-3-methylpentyl]-N-methylformamide;ethane (PubChem CID 145154222) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is N-[(3R)-5-amino-3-methylpentyl]-N-methylformamide;ethane.

Molecular Properties

Compound NameN-[(3R)-5-amino-3-methylpentyl]-N-methylformamide;ethane
PubChem CID145154222
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC NameN-[(3R)-5-amino-3-methylpentyl]-N-methylformamide;ethane
SMILESCC.C[C@H](CCN)CCN(C)C=O
InChIInChI=1S/C8H18N2O.C2H6/c1-8(3-5-9)4-6-10(2)7-11;1-2/h7-8H,3-6,9H2,1-2H3;1-2H3/t8-;/m1./s1
InChIKeyBPTZLKNCXFOBJJ-DDWIOCJRSA-N
XLogP1.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-amino-3-methylpentyl]-N-methylformamide;ethane?
The IUPAC name of N-[(3R)-5-amino-3-methylpentyl]-N-methylformamide;ethane (CID 145154222) is N-[(3R)-5-amino-3-methylpentyl]-N-methylformamide;ethane.
What is the SMILES notation for N-[(3R)-5-amino-3-methylpentyl]-N-methylformamide;ethane?
The canonical SMILES for N-[(3R)-5-amino-3-methylpentyl]-N-methylformamide;ethane is CC.C[C@H](CCN)CCN(C)C=O.
What is the InChIKey of N-[(3R)-5-amino-3-methylpentyl]-N-methylformamide;ethane?
The InChIKey is BPTZLKNCXFOBJJ-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H18N2O.C2H6/c1-8(3-5-9)4-6-10(2)7-11;1-2/h7-8H,3-6,9H2,1-2H3;1-2H3/t8-;/m1./s1.
What are the key properties of N-[(3R)-5-amino-3-methylpentyl]-N-methylformamide;ethane?
N-[(3R)-5-amino-3-methylpentyl]-N-methylformamide;ethane has a molecular weight of 188.31 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-amino-3-methylpentyl]-N-methylformamide;ethane is sourced from PubChem (CID 145154222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).