N-methyl-N-[3-(3-methylhexan-3-ylamino)propyl]cyclobutanecarboxamide

C16H32N2O — CID 144530492

IUPACN-methyl-N-[3-(3-methylhexan-3-ylamino)propyl]cyclobutanecarboxamide
SMILESCCCC(C)(CC)NCCCN(C)C(=O)C1CCC1
InChIInChI=1S/C16H32N2O/c1-5-11-16(3,6-2)17-12-8-13-18(4)15(19)14-9-7-10-14/h14,17H,5-13H2,1-4H3
InChIKeyMTINFKOISYVQCJ-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.19
Rot. Bonds9

About N-methyl-N-[3-(3-methylhexan-3-ylamino)propyl]cyclobutanecarboxamide

N-methyl-N-[3-(3-methylhexan-3-ylamino)propyl]cyclobutanecarboxamide (PubChem CID 144530492) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-methyl-N-[3-(3-methylhexan-3-ylamino)propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-(3-methylhexan-3-ylamino)propyl]cyclobutanecarboxamide
PubChem CID144530492
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-methyl-N-[3-(3-methylhexan-3-ylamino)propyl]cyclobutanecarboxamide
SMILESCCCC(C)(CC)NCCCN(C)C(=O)C1CCC1
InChIInChI=1S/C16H32N2O/c1-5-11-16(3,6-2)17-12-8-13-18(4)15(19)14-9-7-10-14/h14,17H,5-13H2,1-4H3
InChIKeyMTINFKOISYVQCJ-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-aminopentyl)-N-methylcyclobutanecarboxamide
CID 107206716
N-butyl-N-methyl-3-methylidenecyclohexane-1-carboxamide
CID 91270181
N-(3-aminopropyl)-N-methylcyclooctanecarboxamide
CID 65019001
N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide
CID 143018860
2,2-dimethyl-N-[3-(3-methylhexan-3-ylamino)propyl]propanamide
CID 144530466
(3S)-N-methyl-N-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 81134967
N-(3-bromopropyl)-N-methylcyclooctanecarboxamide
CID 106441097
4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149814
(3S)-N-methyl-N-pentylpiperidine-3-carboxamide
CID 81123765
N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-4-cyclopropylpiperazine-1-carboxamide
CID 75420102
N-(4-aminobutyl)-N-methylcyclohexanecarboxamide
CID 67635638
N-butyl-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 87022999

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(3-methylhexan-3-ylamino)propyl]cyclobutanecarboxamide?
The IUPAC name of N-methyl-N-[3-(3-methylhexan-3-ylamino)propyl]cyclobutanecarboxamide (CID 144530492) is N-methyl-N-[3-(3-methylhexan-3-ylamino)propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-methyl-N-[3-(3-methylhexan-3-ylamino)propyl]cyclobutanecarboxamide?
The canonical SMILES for N-methyl-N-[3-(3-methylhexan-3-ylamino)propyl]cyclobutanecarboxamide is CCCC(C)(CC)NCCCN(C)C(=O)C1CCC1.
What is the InChIKey of N-methyl-N-[3-(3-methylhexan-3-ylamino)propyl]cyclobutanecarboxamide?
The InChIKey is MTINFKOISYVQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-11-16(3,6-2)17-12-8-13-18(4)15(19)14-9-7-10-14/h14,17H,5-13H2,1-4H3.
What are the key properties of N-methyl-N-[3-(3-methylhexan-3-ylamino)propyl]cyclobutanecarboxamide?
N-methyl-N-[3-(3-methylhexan-3-ylamino)propyl]cyclobutanecarboxamide has a molecular weight of 268.44 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(3-methylhexan-3-ylamino)propyl]cyclobutanecarboxamide is sourced from PubChem (CID 144530492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).