N-tert-butylnonadecan-1-amine

C23H49N — CID 87846739

IUPACN-tert-butylnonadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCNC(C)(C)C
InChIInChI=1S/C23H49N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23(2,3)4/h24H,5-22H2,1-4H3
InChIKeyJVAZYYSQVIWWOZ-UHFFFAOYSA-N
MW339.65 g/mol
LogP8.03
Rot. Bonds18

About N-tert-butylnonadecan-1-amine

N-tert-butylnonadecan-1-amine (PubChem CID 87846739) has the molecular formula C23H49N and a molecular weight of 339.65 g/mol. Its IUPAC name is N-tert-butylnonadecan-1-amine.

Molecular Properties

Compound NameN-tert-butylnonadecan-1-amine
PubChem CID87846739
Molecular FormulaC23H49N
Molecular Weight339.65 g/mol
Exact Mass339.39
IUPAC NameN-tert-butylnonadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCNC(C)(C)C
InChIInChI=1S/C23H49N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23(2,3)4/h24H,5-22H2,1-4H3
InChIKeyJVAZYYSQVIWWOZ-UHFFFAOYSA-N
XLogP8.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.65
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
N-butyl-N'-tert-butyloctane-1,8-diamine
CID 159630261
1-(dodecylamino)ethane-1,1-diol
CID 23198053
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
(5S)-1-(tert-butylamino)decan-5-ol
CID 118890098
N-butyl-N'-tert-butylpropane-1,3-diamine
CID 60669474
1,1-bis(octylamino)ethanol
CID 87347011
N-tert-butyl-N',N'-dibutylbutane-1,4-diamine
CID 62418469
N-(1-chloro-2-methylpropan-2-yl)hexan-1-amine
CID 65026682
N-heptyl-5-methylnonan-5-amine
CID 126560493
N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine
CID 4618605
N-(trifluoromethyl)hexadecan-1-amine
CID 158402254

Frequently Asked Questions

What is the IUPAC name of N-tert-butylnonadecan-1-amine?
The IUPAC name of N-tert-butylnonadecan-1-amine (CID 87846739) is N-tert-butylnonadecan-1-amine.
What is the SMILES notation for N-tert-butylnonadecan-1-amine?
The canonical SMILES for N-tert-butylnonadecan-1-amine is CCCCCCCCCCCCCCCCCCCNC(C)(C)C.
What is the InChIKey of N-tert-butylnonadecan-1-amine?
The InChIKey is JVAZYYSQVIWWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23(2,3)4/h24H,5-22H2,1-4H3.
What are the key properties of N-tert-butylnonadecan-1-amine?
N-tert-butylnonadecan-1-amine has a molecular weight of 339.65 g/mol, XLogP of 8.03, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylnonadecan-1-amine is sourced from PubChem (CID 87846739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).