N-methyl-N-propan-2-yltridecan-1-amine

C17H37N — CID 88970420

IUPACN-methyl-N-propan-2-yltridecan-1-amine
SMILESCCCCCCCCCCCCCN(C)C(C)C
InChIInChI=1S/C17H37N/c1-5-6-7-8-9-10-11-12-13-14-15-16-18(4)17(2)3/h17H,5-16H2,1-4H3
InChIKeyFZSGSQRHSIHSJU-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.64
Rot. Bonds13

About N-methyl-N-propan-2-yltridecan-1-amine

N-methyl-N-propan-2-yltridecan-1-amine (PubChem CID 88970420) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is N-methyl-N-propan-2-yltridecan-1-amine.

Molecular Properties

Compound NameN-methyl-N-propan-2-yltridecan-1-amine
PubChem CID88970420
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC NameN-methyl-N-propan-2-yltridecan-1-amine
SMILESCCCCCCCCCCCCCN(C)C(C)C
InChIInChI=1S/C17H37N/c1-5-6-7-8-9-10-11-12-13-14-15-16-18(4)17(2)3/h17H,5-16H2,1-4H3
InChIKeyFZSGSQRHSIHSJU-UHFFFAOYSA-N
XLogP5.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
formic acid;N-methyl-N-propan-2-ylhexan-1-amine
CID 169177535
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
N-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine
CID 163400505
2-N-dodecyl-2-N-methylpropane-1,2-diamine
CID 104556816
N-(1-bromopropan-2-yl)-N-methylheptan-1-amine
CID 104554827
N-(1-bromopropan-2-yl)-N-methyldodecan-1-amine
CID 104554825
1-[dodecyl(methyl)amino]propane-1,2-diol
CID 129203951
N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62573357
N-dodecyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63492456
1-[dodecyl(methyl)amino]ethyl-trimethylazanium
CID 141440762
N,N-di(propan-2-yl)heptadecan-1-amine
CID 138744995

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yltridecan-1-amine?
The IUPAC name of N-methyl-N-propan-2-yltridecan-1-amine (CID 88970420) is N-methyl-N-propan-2-yltridecan-1-amine.
What is the SMILES notation for N-methyl-N-propan-2-yltridecan-1-amine?
The canonical SMILES for N-methyl-N-propan-2-yltridecan-1-amine is CCCCCCCCCCCCCN(C)C(C)C.
What is the InChIKey of N-methyl-N-propan-2-yltridecan-1-amine?
The InChIKey is FZSGSQRHSIHSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-5-6-7-8-9-10-11-12-13-14-15-16-18(4)17(2)3/h17H,5-16H2,1-4H3.
What are the key properties of N-methyl-N-propan-2-yltridecan-1-amine?
N-methyl-N-propan-2-yltridecan-1-amine has a molecular weight of 255.49 g/mol, XLogP of 5.64, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yltridecan-1-amine is sourced from PubChem (CID 88970420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).