N,N-dimethyldodecan-1-amine;2-methylidenepentanamide;hydrobromide

C20H43BrN2O — CID 173350246

IUPACN,N-dimethyldodecan-1-amine;2-methylidenepentanamide;hydrobromide
SMILESBr.C=C(CCC)C(N)=O.CCCCCCCCCCCCN(C)C
InChIInChI=1S/C14H31N.C6H11NO.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-3-4-5(2)6(7)8;/h4-14H2,1-3H3;2-4H2,1H3,(H2,7,8);1H
InChIKeyMBBVGFNRDVDWEY-UHFFFAOYSA-N
MW407.48 g/mol
LogP5.87
Rot. Bonds14

About N,N-dimethyldodecan-1-amine;2-methylidenepentanamide;hydrobromide

N,N-dimethyldodecan-1-amine;2-methylidenepentanamide;hydrobromide (PubChem CID 173350246) has the molecular formula C20H43BrN2O and a molecular weight of 407.48 g/mol. Its IUPAC name is N,N-dimethyldodecan-1-amine;2-methylidenepentanamide;hydrobromide.

Molecular Properties

Compound NameN,N-dimethyldodecan-1-amine;2-methylidenepentanamide;hydrobromide
PubChem CID173350246
Molecular FormulaC20H43BrN2O
Molecular Weight407.48 g/mol
Exact Mass406.26
IUPAC NameN,N-dimethyldodecan-1-amine;2-methylidenepentanamide;hydrobromide
SMILESBr.C=C(CCC)C(N)=O.CCCCCCCCCCCCN(C)C
InChIInChI=1S/C14H31N.C6H11NO.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-3-4-5(2)6(7)8;/h4-14H2,1-3H3;2-4H2,1H3,(H2,7,8);1H
InChIKeyMBBVGFNRDVDWEY-UHFFFAOYSA-N
XLogP5.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.48
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 23169563
5-(dimethylamino)-2-methylidenepentanamide
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2-methylidenetridecanamide
CID 22648504
2-methylidenepentadecanamide
CID 57359889
4-(dimethylamino)-2-methylidenebutanamide;hydrochloride
CID 87438764
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CID 174565539
N,N-dimethyldodecan-1-amine;hypobromous acid
CID 175692920
N,N-dimethylpentacosan-1-amine;hydrobromide
CID 174802696
acetic acid;N,N-dimethyldodecan-1-amine;guanidine
CID 174976714
N,N-dimethylhexadecan-1-amine;hydrobromide
CID 71365203
bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
CID 175534819

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyldodecan-1-amine;2-methylidenepentanamide;hydrobromide?
The IUPAC name of N,N-dimethyldodecan-1-amine;2-methylidenepentanamide;hydrobromide (CID 173350246) is N,N-dimethyldodecan-1-amine;2-methylidenepentanamide;hydrobromide.
What is the SMILES notation for N,N-dimethyldodecan-1-amine;2-methylidenepentanamide;hydrobromide?
The canonical SMILES for N,N-dimethyldodecan-1-amine;2-methylidenepentanamide;hydrobromide is Br.C=C(CCC)C(N)=O.CCCCCCCCCCCCN(C)C.
What is the InChIKey of N,N-dimethyldodecan-1-amine;2-methylidenepentanamide;hydrobromide?
The InChIKey is MBBVGFNRDVDWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N.C6H11NO.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-3-4-5(2)6(7)8;/h4-14H2,1-3H3;2-4H2,1H3,(H2,7,8);1H.
What are the key properties of N,N-dimethyldodecan-1-amine;2-methylidenepentanamide;hydrobromide?
N,N-dimethyldodecan-1-amine;2-methylidenepentanamide;hydrobromide has a molecular weight of 407.48 g/mol, XLogP of 5.87, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyldodecan-1-amine;2-methylidenepentanamide;hydrobromide is sourced from PubChem (CID 173350246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).