N-(2-methylbutan-2-yl)hexadecan-1-amine

C21H45N — CID 20511004

IUPACN-(2-methylbutan-2-yl)hexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCNC(C)(C)CC
InChIInChI=1S/C21H45N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(3,4)6-2/h22H,5-20H2,1-4H3
InChIKeyRGKMWDMLKXDYPS-UHFFFAOYSA-N
MW311.60 g/mol
LogP7.25
Rot. Bonds17

About N-(2-methylbutan-2-yl)hexadecan-1-amine

N-(2-methylbutan-2-yl)hexadecan-1-amine (PubChem CID 20511004) has the molecular formula C21H45N and a molecular weight of 311.60 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)hexadecan-1-amine.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)hexadecan-1-amine
PubChem CID20511004
Molecular FormulaC21H45N
Molecular Weight311.60 g/mol
Exact Mass311.36
IUPAC NameN-(2-methylbutan-2-yl)hexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCNC(C)(C)CC
InChIInChI=1S/C21H45N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(3,4)6-2/h22H,5-20H2,1-4H3
InChIKeyRGKMWDMLKXDYPS-UHFFFAOYSA-N
XLogP7.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.60
LogP ≤ 57.25
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-butylnonadecan-1-amine
CID 87846739
N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine
CID 4618605
N-(1-chloro-2-methylpropan-2-yl)hexan-1-amine
CID 65026682
1-(dodecylamino)ethane-1,1-diol
CID 23198053
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
1,1-bis(octylamino)ethanol
CID 87347011
N-(1-methoxy-2-methylpropan-2-yl)hexan-1-amine
CID 115644983
N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine
CID 163587964
N-heptyl-5-methylnonan-5-amine
CID 126560493
1-N"-undecylpropane-1,1,1-triamine
CID 54090869
2-(hexylamino)-2-methylbutan-1-ol
CID 64550569
N-(trifluoromethyl)hexadecan-1-amine
CID 158402254

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)hexadecan-1-amine?
The IUPAC name of N-(2-methylbutan-2-yl)hexadecan-1-amine (CID 20511004) is N-(2-methylbutan-2-yl)hexadecan-1-amine.
What is the SMILES notation for N-(2-methylbutan-2-yl)hexadecan-1-amine?
The canonical SMILES for N-(2-methylbutan-2-yl)hexadecan-1-amine is CCCCCCCCCCCCCCCCNC(C)(C)CC.
What is the InChIKey of N-(2-methylbutan-2-yl)hexadecan-1-amine?
The InChIKey is RGKMWDMLKXDYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(3,4)6-2/h22H,5-20H2,1-4H3.
What are the key properties of N-(2-methylbutan-2-yl)hexadecan-1-amine?
N-(2-methylbutan-2-yl)hexadecan-1-amine has a molecular weight of 311.60 g/mol, XLogP of 7.25, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)hexadecan-1-amine is sourced from PubChem (CID 20511004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).