N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)butanamide

C12H24N2O2 — CID 61436258

IUPACN-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)butanamide
SMILESCNCCCC(=O)N(C)CC1CCCCO1
InChIInChI=1S/C12H24N2O2/c1-13-8-5-7-12(15)14(2)10-11-6-3-4-9-16-11/h11,13H,3-10H2,1-2H3
InChIKeySIEQLXQQDJEPLR-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds6

About N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)butanamide

N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)butanamide (PubChem CID 61436258) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)butanamide
PubChem CID61436258
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)butanamide
SMILESCNCCCC(=O)N(C)CC1CCCCO1
InChIInChI=1S/C12H24N2O2/c1-13-8-5-7-12(15)14(2)10-11-6-3-4-9-16-11/h11,13H,3-10H2,1-2H3
InChIKeySIEQLXQQDJEPLR-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide
CID 61436363
6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid
CID 61432529
N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 61436273
2-(1-hydroxycyclohexyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 111537176
2-(cyclopropylmethylamino)-N-methyl-N-(oxan-2-ylmethyl)acetamide;hydrochloride
CID 119746345
3-butyl-1-methyl-1-(oxan-2-ylmethyl)urea
CID 115589808
N-methyl-N-(oxan-2-ylmethyl)-3-piperidin-2-ylpropanamide
CID 62211472
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
3-amino-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61436031
N-methyl-N-(oxan-2-ylmethyl)cyclopropanecarboxamide
CID 61150958
1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
CID 115590472
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide
CID 96998499

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)butanamide?
The IUPAC name of N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)butanamide (CID 61436258) is N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)butanamide.
What is the SMILES notation for N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)butanamide?
The canonical SMILES for N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)butanamide is CNCCCC(=O)N(C)CC1CCCCO1.
What is the InChIKey of N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)butanamide?
The InChIKey is SIEQLXQQDJEPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-13-8-5-7-12(15)14(2)10-11-6-3-4-9-16-11/h11,13H,3-10H2,1-2H3.
What are the key properties of N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)butanamide?
N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)butanamide has a molecular weight of 228.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)butanamide is sourced from PubChem (CID 61436258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).