N-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine

C16H34N2 — CID 62413264

IUPACN-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine
SMILESCCC1CCN(C(C)CCCNC(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-6-15-9-12-18(13-10-15)14(2)8-7-11-17-16(3,4)5/h14-15,17H,6-13H2,1-5H3
InChIKeySOFMBSVDIXIZEG-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds6

About N-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine

N-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine (PubChem CID 62413264) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine
PubChem CID62413264
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine
SMILESCCC1CCN(C(C)CCCNC(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-6-15-9-12-18(13-10-15)14(2)8-7-11-17-16(3,4)5/h14-15,17H,6-13H2,1-5H3
InChIKeySOFMBSVDIXIZEG-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine
CID 113419069
4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine
CID 62774850
N-tert-butyl-4-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
CID 114238304
N-tert-butyl-4-(3-methylpyrrolidin-1-yl)pentan-1-amine
CID 62426058
N-tert-butyl-3-(4-propylpiperidin-1-yl)butan-1-amine
CID 55069814
N-tert-butyl-4-piperidin-1-ylpentan-1-amine
CID 55137410
N-tert-butyl-2-(4-ethylpiperidin-1-yl)-3-methylbutan-1-amine
CID 62412730
N-tert-butyl-4-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-amine
CID 103539948
N-tert-butyl-4-(2-propylpiperidin-1-yl)pentan-1-amine
CID 83061621
N-tert-butyl-2-(4-ethylazepan-1-yl)pentan-1-amine
CID 83055251
2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile
CID 64728298
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-tert-butylpentan-1-amine
CID 102728546

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine?
The IUPAC name of N-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine (CID 62413264) is N-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine is CCC1CCN(C(C)CCCNC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine?
The InChIKey is SOFMBSVDIXIZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-15-9-12-18(13-10-15)14(2)8-7-11-17-16(3,4)5/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine?
N-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine is sourced from PubChem (CID 62413264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).