N-[(2R)-1-methoxypropan-2-yl]-N-methylpropanimidamide

C8H18N2O — CID 163466777

IUPACN-[(2R)-1-methoxypropan-2-yl]-N-methylpropanimidamide
SMILES[H]/N=C(\CC)N(C)[C@H](C)COC
InChIInChI=1S/C8H18N2O/c1-5-8(9)10(3)7(2)6-11-4/h7,9H,5-6H2,1-4H3/b9-8+/t7-/m1/s1
InChIKeyBTGSAZWKPQRPQU-BDGYDECCSA-N
MW158.25 g/mol
LogP1.34
Rot. Bonds4

About N-[(2R)-1-methoxypropan-2-yl]-N-methylpropanimidamide

N-[(2R)-1-methoxypropan-2-yl]-N-methylpropanimidamide (PubChem CID 163466777) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-[(2R)-1-methoxypropan-2-yl]-N-methylpropanimidamide.

Molecular Properties

Compound NameN-[(2R)-1-methoxypropan-2-yl]-N-methylpropanimidamide
PubChem CID163466777
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-[(2R)-1-methoxypropan-2-yl]-N-methylpropanimidamide
SMILES[H]/N=C(\CC)N(C)[C@H](C)COC
InChIInChI=1S/C8H18N2O/c1-5-8(9)10(3)7(2)6-11-4/h7,9H,5-6H2,1-4H3/b9-8+/t7-/m1/s1
InChIKeyBTGSAZWKPQRPQU-BDGYDECCSA-N
XLogP1.34
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N,2-dimethylpropanimidamide
CID 57640395
N-ethyl-N-(2-methoxyethyl)-2-methylpropanimidamide
CID 58673095
N-ethyl-N-(2-methoxyethyl)ethanimidamide
CID 60085575
1-Morpholin-4-ylbutan-1-imine
CID 62047580
N,N-bis(2-methoxyethyl)ethanimidamide
CID 63172934
N-(2-methoxyethyl)-N-methylpropanimidamide
CID 63177887
N-(2-methoxyethyl)-N,2,2-trimethylpropanimidamide
CID 63177943
N-ethanimidoyl-2-methoxy-N-pentan-3-ylethanimidamide
CID 139527717
ethane;N-(2-methoxyethyl)-N,2-dimethylpropanimidamide
CID 143160692
1-[(3R)-3-methylmorpholin-4-yl]propan-1-imine
CID 167020326
2-iodo-N-(2-methoxyethyl)-N,2-dimethylpropanimidamide
CID 167170502
3-[2-Methoxyethyl(methyl)amino]propanimidamide
CID 28387377

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-N-methylpropanimidamide?
The IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-N-methylpropanimidamide (CID 163466777) is N-[(2R)-1-methoxypropan-2-yl]-N-methylpropanimidamide.
What is the SMILES notation for N-[(2R)-1-methoxypropan-2-yl]-N-methylpropanimidamide?
The canonical SMILES for N-[(2R)-1-methoxypropan-2-yl]-N-methylpropanimidamide is [H]/N=C(\CC)N(C)[C@H](C)COC.
What is the InChIKey of N-[(2R)-1-methoxypropan-2-yl]-N-methylpropanimidamide?
The InChIKey is BTGSAZWKPQRPQU-BDGYDECCSA-N. The full InChI is InChI=1S/C8H18N2O/c1-5-8(9)10(3)7(2)6-11-4/h7,9H,5-6H2,1-4H3/b9-8+/t7-/m1/s1.
What are the key properties of N-[(2R)-1-methoxypropan-2-yl]-N-methylpropanimidamide?
N-[(2R)-1-methoxypropan-2-yl]-N-methylpropanimidamide has a molecular weight of 158.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-methoxypropan-2-yl]-N-methylpropanimidamide is sourced from PubChem (CID 163466777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).