N-tert-butyltetradecan-1-amine;hydrochloride

C18H40ClN — CID 173037604

IUPACN-tert-butyltetradecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCNC(C)(C)C.Cl
InChIInChI=1S/C18H39N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18(2,3)4;/h19H,5-17H2,1-4H3;1H
InChIKeyYSRJOLJAPXGFTG-UHFFFAOYSA-N
MW305.98 g/mol
LogP6.50
Rot. Bonds13

About N-tert-butyltetradecan-1-amine;hydrochloride

N-tert-butyltetradecan-1-amine;hydrochloride (PubChem CID 173037604) has the molecular formula C18H40ClN and a molecular weight of 305.98 g/mol. Its IUPAC name is N-tert-butyltetradecan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-tert-butyltetradecan-1-amine;hydrochloride
PubChem CID173037604
Molecular FormulaC18H40ClN
Molecular Weight305.98 g/mol
Exact Mass305.28
IUPAC NameN-tert-butyltetradecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCNC(C)(C)C.Cl
InChIInChI=1S/C18H39N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18(2,3)4;/h19H,5-17H2,1-4H3;1H
InChIKeyYSRJOLJAPXGFTG-UHFFFAOYSA-N
XLogP6.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.98
LogP ≤ 56.50
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-butyl-N'-tert-butyloctane-1,8-diamine
CID 159630261
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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-(2-methylbut-3-en-2-yl)octadecan-1-amine;hydrochloride
CID 173339129
N-tert-butyl-N',N'-dibutylbutane-1,4-diamine
CID 62418469
N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine
CID 4618605
N-heptyl-5-methylnonan-5-amine
CID 126560493
N-(1-chloro-2-methylpropan-2-yl)hexan-1-amine
CID 65026682

Frequently Asked Questions

What is the IUPAC name of N-tert-butyltetradecan-1-amine;hydrochloride?
The IUPAC name of N-tert-butyltetradecan-1-amine;hydrochloride (CID 173037604) is N-tert-butyltetradecan-1-amine;hydrochloride.
What is the SMILES notation for N-tert-butyltetradecan-1-amine;hydrochloride?
The canonical SMILES for N-tert-butyltetradecan-1-amine;hydrochloride is CCCCCCCCCCCCCCNC(C)(C)C.Cl.
What is the InChIKey of N-tert-butyltetradecan-1-amine;hydrochloride?
The InChIKey is YSRJOLJAPXGFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18(2,3)4;/h19H,5-17H2,1-4H3;1H.
What are the key properties of N-tert-butyltetradecan-1-amine;hydrochloride?
N-tert-butyltetradecan-1-amine;hydrochloride has a molecular weight of 305.98 g/mol, XLogP of 6.50, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyltetradecan-1-amine;hydrochloride is sourced from PubChem (CID 173037604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).