N-tert-butyl-4-(2-propylpiperidin-1-yl)pentan-1-amine

C17H36N2 — CID 83061621

IUPACN-tert-butyl-4-(2-propylpiperidin-1-yl)pentan-1-amine
SMILESCCCC1CCCCN1C(C)CCCNC(C)(C)C
InChIInChI=1S/C17H36N2/c1-6-10-16-12-7-8-14-19(16)15(2)11-9-13-18-17(3,4)5/h15-16,18H,6-14H2,1-5H3
InChIKeyFTNZEQDXLQLMFW-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.20
Rot. Bonds7

About N-tert-butyl-4-(2-propylpiperidin-1-yl)pentan-1-amine

N-tert-butyl-4-(2-propylpiperidin-1-yl)pentan-1-amine (PubChem CID 83061621) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-tert-butyl-4-(2-propylpiperidin-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(2-propylpiperidin-1-yl)pentan-1-amine
PubChem CID83061621
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-tert-butyl-4-(2-propylpiperidin-1-yl)pentan-1-amine
SMILESCCCC1CCCCN1C(C)CCCNC(C)(C)C
InChIInChI=1S/C17H36N2/c1-6-10-16-12-7-8-14-19(16)15(2)11-9-13-18-17(3,4)5/h15-16,18H,6-14H2,1-5H3
InChIKeyFTNZEQDXLQLMFW-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.20
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-3-(2-ethylazepan-1-yl)butan-1-amine
CID 104692382
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-tert-butylpentan-1-amine
CID 102728546
N-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine
CID 113419069
4-(2-propylpiperidin-1-yl)pentanehydrazide
CID 83056932
N-tert-butyl-4-piperidin-1-ylpentan-1-amine
CID 55137410
N-ethyl-3-(2-ethylpiperidin-1-yl)butan-1-amine
CID 62421039
3-(2-propylpiperidin-1-yl)butanoic acid
CID 83055410
N-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine
CID 62413264
4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine
CID 62774850
2-(2-propylpiperidin-1-yl)pentan-3-one
CID 83056378
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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-propylpiperidin-1-yl)pentan-1-amine?
The IUPAC name of N-tert-butyl-4-(2-propylpiperidin-1-yl)pentan-1-amine (CID 83061621) is N-tert-butyl-4-(2-propylpiperidin-1-yl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(2-propylpiperidin-1-yl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-(2-propylpiperidin-1-yl)pentan-1-amine is CCCC1CCCCN1C(C)CCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-(2-propylpiperidin-1-yl)pentan-1-amine?
The InChIKey is FTNZEQDXLQLMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-10-16-12-7-8-14-19(16)15(2)11-9-13-18-17(3,4)5/h15-16,18H,6-14H2,1-5H3.
What are the key properties of N-tert-butyl-4-(2-propylpiperidin-1-yl)pentan-1-amine?
N-tert-butyl-4-(2-propylpiperidin-1-yl)pentan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-propylpiperidin-1-yl)pentan-1-amine is sourced from PubChem (CID 83061621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).