N-methyl-N-octyloctan-1-amine;perchloric acid

C17H38ClNO4 — CID 71344995

IUPACN-methyl-N-octyloctan-1-amine;perchloric acid
SMILESCCCCCCCCN(C)CCCCCCCC.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C17H37N.ClHO4/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;2-1(3,4)5/h4-17H2,1-3H3;(H,2,3,4,5)
InChIKeyKYLPXJBNVZPWBG-UHFFFAOYSA-N
MW355.95 g/mol
LogP1.52
Rot. Bonds14

About N-methyl-N-octyloctan-1-amine;perchloric acid

N-methyl-N-octyloctan-1-amine;perchloric acid (PubChem CID 71344995) has the molecular formula C17H38ClNO4 and a molecular weight of 355.95 g/mol. Its IUPAC name is N-methyl-N-octyloctan-1-amine;perchloric acid.

Molecular Properties

Compound NameN-methyl-N-octyloctan-1-amine;perchloric acid
PubChem CID71344995
Molecular FormulaC17H38ClNO4
Molecular Weight355.95 g/mol
Exact Mass355.25
IUPAC NameN-methyl-N-octyloctan-1-amine;perchloric acid
SMILESCCCCCCCCN(C)CCCCCCCC.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C17H37N.ClHO4/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;2-1(3,4)5/h4-17H2,1-3H3;(H,2,3,4,5)
InChIKeyKYLPXJBNVZPWBG-UHFFFAOYSA-N
XLogP1.52
TPSA92.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.95
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
4-[methyl(octyl)amino]butan-1-ol
CID 87238675
N-hexadecyl-N-methylhexadecan-1-amine;hydrochloride
CID 71350597
N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
CID 158494739

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-octyloctan-1-amine;perchloric acid?
The IUPAC name of N-methyl-N-octyloctan-1-amine;perchloric acid (CID 71344995) is N-methyl-N-octyloctan-1-amine;perchloric acid.
What is the SMILES notation for N-methyl-N-octyloctan-1-amine;perchloric acid?
The canonical SMILES for N-methyl-N-octyloctan-1-amine;perchloric acid is CCCCCCCCN(C)CCCCCCCC.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of N-methyl-N-octyloctan-1-amine;perchloric acid?
The InChIKey is KYLPXJBNVZPWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N.ClHO4/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;2-1(3,4)5/h4-17H2,1-3H3;(H,2,3,4,5).
What are the key properties of N-methyl-N-octyloctan-1-amine;perchloric acid?
N-methyl-N-octyloctan-1-amine;perchloric acid has a molecular weight of 355.95 g/mol, XLogP of 1.52, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-octyloctan-1-amine;perchloric acid is sourced from PubChem (CID 71344995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).