N-methyl-N-(2-methylprop-2-enyl)octan-1-amine

C13H27N — CID 20788988

IUPACN-methyl-N-(2-methylprop-2-enyl)octan-1-amine
SMILESC=C(C)CN(C)CCCCCCCC
InChIInChI=1S/C13H27N/c1-5-6-7-8-9-10-11-14(4)12-13(2)3/h2,5-12H2,1,3-4H3
InChIKeyPRWUJUWJWPDEMR-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.85
Rot. Bonds9

About N-methyl-N-(2-methylprop-2-enyl)octan-1-amine

N-methyl-N-(2-methylprop-2-enyl)octan-1-amine (PubChem CID 20788988) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-methyl-N-(2-methylprop-2-enyl)octan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylprop-2-enyl)octan-1-amine
PubChem CID20788988
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-methyl-N-(2-methylprop-2-enyl)octan-1-amine
SMILESC=C(C)CN(C)CCCCCCCC
InChIInChI=1S/C13H27N/c1-5-6-7-8-9-10-11-14(4)12-13(2)3/h2,5-12H2,1,3-4H3
InChIKeyPRWUJUWJWPDEMR-UHFFFAOYSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
N-methyl-6-methylidene-N-octyloctadecan-1-amine
CID 154642833
2-[hexyl(methyl)amino]acetic acid
CID 10197909
N,N-diethyl-2-[hexyl(methyl)amino]acetamide
CID 86911436

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylprop-2-enyl)octan-1-amine?
The IUPAC name of N-methyl-N-(2-methylprop-2-enyl)octan-1-amine (CID 20788988) is N-methyl-N-(2-methylprop-2-enyl)octan-1-amine.
What is the SMILES notation for N-methyl-N-(2-methylprop-2-enyl)octan-1-amine?
The canonical SMILES for N-methyl-N-(2-methylprop-2-enyl)octan-1-amine is C=C(C)CN(C)CCCCCCCC.
What is the InChIKey of N-methyl-N-(2-methylprop-2-enyl)octan-1-amine?
The InChIKey is PRWUJUWJWPDEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-6-7-8-9-10-11-14(4)12-13(2)3/h2,5-12H2,1,3-4H3.
What are the key properties of N-methyl-N-(2-methylprop-2-enyl)octan-1-amine?
N-methyl-N-(2-methylprop-2-enyl)octan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylprop-2-enyl)octan-1-amine is sourced from PubChem (CID 20788988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).