N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine

C16H32N2 — CID 62932033

IUPACN-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine
SMILESCC1(C)CCN(CCNC2CCCCCC2)CC1
InChIInChI=1S/C16H32N2/c1-16(2)9-12-18(13-10-16)14-11-17-15-7-5-3-4-6-8-15/h15,17H,3-14H2,1-2H3
InChIKeyFJLKCSVDIIJIFQ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds4

About N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine

N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine (PubChem CID 62932033) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine
PubChem CID62932033
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine
SMILESCC1(C)CCN(CCNC2CCCCCC2)CC1
InChIInChI=1S/C16H32N2/c1-16(2)9-12-18(13-10-16)14-11-17-15-7-5-3-4-6-8-15/h15,17H,3-14H2,1-2H3
InChIKeyFJLKCSVDIIJIFQ-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4,4-dimethylazepan-1-yl)ethyl]cycloheptanamine
CID 65286769
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexanamine
CID 60701363
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60701361
4,4-dimethyl-N-(2-morpholin-4-ylethyl)cycloheptan-1-amine
CID 65082758
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine
CID 71383118
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
N-(2-thiomorpholin-4-ylethyl)cyclohexanamine
CID 62573834
N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]cyclopentanamine
CID 63620690
4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
CID 65082868
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-(2-thiomorpholin-4-ylethyl)cyclopentanamine
CID 60849284

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine (CID 62932033) is N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine is CC1(C)CCN(CCNC2CCCCCC2)CC1.
What is the InChIKey of N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine?
The InChIKey is FJLKCSVDIIJIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-16(2)9-12-18(13-10-16)14-11-17-15-7-5-3-4-6-8-15/h15,17H,3-14H2,1-2H3.
What are the key properties of N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine?
N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine is sourced from PubChem (CID 62932033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).