7-(4-methylpiperidin-1-yl)heptan-1-amine

C13H28N2 — CID 28596817

IUPAC7-(4-methylpiperidin-1-yl)heptan-1-amine
SMILESCC1CCN(CCCCCCCN)CC1
InChIInChI=1S/C13H28N2/c1-13-7-11-15(12-8-13)10-6-4-2-3-5-9-14/h13H,2-12,14H2,1H3
InChIKeyZQGBHTZGACPDLS-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.63
Rot. Bonds7

About 7-(4-methylpiperidin-1-yl)heptan-1-amine

7-(4-methylpiperidin-1-yl)heptan-1-amine (PubChem CID 28596817) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 7-(4-methylpiperidin-1-yl)heptan-1-amine.

Molecular Properties

Compound Name7-(4-methylpiperidin-1-yl)heptan-1-amine
PubChem CID28596817
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name7-(4-methylpiperidin-1-yl)heptan-1-amine
SMILESCC1CCN(CCCCCCCN)CC1
InChIInChI=1S/C13H28N2/c1-13-7-11-15(12-8-13)10-6-4-2-3-5-9-14/h13H,2-12,14H2,1H3
InChIKeyZQGBHTZGACPDLS-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.63
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

ethane;2-(4-methylpiperidin-1-yl)ethanamine
CID 143291209
2-(4-methylpiperidin-1-yl)ethanamine;propane
CID 142306647
2-[2-(4-methylpiperidin-1-yl)ethoxy]ethanamine
CID 39237896
6-(azetidin-1-yl)hexan-1-amine
CID 18952651
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
methyl 1-(5-aminopentyl)piperidine-4-carboxylate
CID 63382770
1-(7-aminoheptyl)-N,N-dimethylpyrrolidin-3-amine
CID 63532634
4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 69155262
2-methyl-5-(4-methylpiperidin-1-yl)pentan-1-amine
CID 82010619
9-piperidin-1-ylnonan-1-amine
CID 123762077
7-(azepan-1-yl)heptan-1-amine
CID 28597448
N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide
CID 102736096

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperidin-1-yl)heptan-1-amine?
The IUPAC name of 7-(4-methylpiperidin-1-yl)heptan-1-amine (CID 28596817) is 7-(4-methylpiperidin-1-yl)heptan-1-amine.
What is the SMILES notation for 7-(4-methylpiperidin-1-yl)heptan-1-amine?
The canonical SMILES for 7-(4-methylpiperidin-1-yl)heptan-1-amine is CC1CCN(CCCCCCCN)CC1.
What is the InChIKey of 7-(4-methylpiperidin-1-yl)heptan-1-amine?
The InChIKey is ZQGBHTZGACPDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-13-7-11-15(12-8-13)10-6-4-2-3-5-9-14/h13H,2-12,14H2,1H3.
What are the key properties of 7-(4-methylpiperidin-1-yl)heptan-1-amine?
7-(4-methylpiperidin-1-yl)heptan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperidin-1-yl)heptan-1-amine is sourced from PubChem (CID 28596817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).