7-(4,4-diethylpiperidin-1-yl)heptan-1-amine

C16H34N2 — CID 55159303

IUPAC7-(4,4-diethylpiperidin-1-yl)heptan-1-amine
SMILESCCC1(CC)CCN(CCCCCCCN)CC1
InChIInChI=1S/C16H34N2/c1-3-16(4-2)10-14-18(15-11-16)13-9-7-5-6-8-12-17/h3-15,17H2,1-2H3
InChIKeyUYPQOZDLMPCMGU-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.80
Rot. Bonds9

About 7-(4,4-diethylpiperidin-1-yl)heptan-1-amine

7-(4,4-diethylpiperidin-1-yl)heptan-1-amine (PubChem CID 55159303) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 7-(4,4-diethylpiperidin-1-yl)heptan-1-amine.

Molecular Properties

Compound Name7-(4,4-diethylpiperidin-1-yl)heptan-1-amine
PubChem CID55159303
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name7-(4,4-diethylpiperidin-1-yl)heptan-1-amine
SMILESCCC1(CC)CCN(CCCCCCCN)CC1
InChIInChI=1S/C16H34N2/c1-3-16(4-2)10-14-18(15-11-16)13-9-7-5-6-8-12-17/h3-15,17H2,1-2H3
InChIKeyUYPQOZDLMPCMGU-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.80
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

5-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine
CID 63157135
1-(9-bromononyl)-4,4-diethylpiperidine
CID 105343769
6-(azetidin-1-yl)hexan-1-amine
CID 18952651
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
5-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254542
1-amino-6-(4,4-diethylpiperidin-1-yl)-2-methylhexan-2-ol
CID 64818942
4-(4-nonyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252867
5-(8-azaspiro[4.5]decan-8-yl)pentan-1-amine
CID 63157322
3-(4,4-diethylpiperidin-1-yl)propane-1-sulfonamide
CID 112594762
4-(4,4-diethylpiperidin-1-yl)butanehydrazide
CID 63583162
4-(4-pentylpiperazin-1-yl)butan-1-amine
CID 43252747
4-(4-pentyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252830

Frequently Asked Questions

What is the IUPAC name of 7-(4,4-diethylpiperidin-1-yl)heptan-1-amine?
The IUPAC name of 7-(4,4-diethylpiperidin-1-yl)heptan-1-amine (CID 55159303) is 7-(4,4-diethylpiperidin-1-yl)heptan-1-amine.
What is the SMILES notation for 7-(4,4-diethylpiperidin-1-yl)heptan-1-amine?
The canonical SMILES for 7-(4,4-diethylpiperidin-1-yl)heptan-1-amine is CCC1(CC)CCN(CCCCCCCN)CC1.
What is the InChIKey of 7-(4,4-diethylpiperidin-1-yl)heptan-1-amine?
The InChIKey is UYPQOZDLMPCMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-3-16(4-2)10-14-18(15-11-16)13-9-7-5-6-8-12-17/h3-15,17H2,1-2H3.
What are the key properties of 7-(4,4-diethylpiperidin-1-yl)heptan-1-amine?
7-(4,4-diethylpiperidin-1-yl)heptan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,4-diethylpiperidin-1-yl)heptan-1-amine is sourced from PubChem (CID 55159303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).