2-(diethylaminomethyl)cycloheptan-1-amine

C12H26N2 — CID 62616063

IUPAC2-(diethylaminomethyl)cycloheptan-1-amine
SMILESCCN(CC)CC1CCCCCC1N
InChIInChI=1S/C12H26N2/c1-3-14(4-2)10-11-8-6-5-7-9-12(11)13/h11-12H,3-10,13H2,1-2H3
InChIKeyHAVZSDVDJAMCBJ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.24
Rot. Bonds4

About 2-(diethylaminomethyl)cycloheptan-1-amine

2-(diethylaminomethyl)cycloheptan-1-amine (PubChem CID 62616063) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-(diethylaminomethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(diethylaminomethyl)cycloheptan-1-amine
PubChem CID62616063
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-(diethylaminomethyl)cycloheptan-1-amine
SMILESCCN(CC)CC1CCCCCC1N
InChIInChI=1S/C12H26N2/c1-3-14(4-2)10-11-8-6-5-7-9-12(11)13/h11-12H,3-10,13H2,1-2H3
InChIKeyHAVZSDVDJAMCBJ-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine
CID 62615538
N-[[(1R,2R)-2-(diethylaminomethyl)cyclopentyl]methyl]-N-ethylethanamine
CID 10538046
2-[[cyclohexyl(ethyl)amino]methyl]cyclohexan-1-amine
CID 55093825
N'-[(2-aminocycloheptyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62611045
[2-(diethylaminomethyl)cyclohexyl]methanol
CID 104550218
2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine
CID 62614703
2-N-ethyl-2-N-methylcyclododecane-1,2-diamine
CID 43263336
3-(diethylaminomethyl)oxan-4-amine
CID 83619174
2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine
CID 62614941
2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-amine
CID 62614684
2-[[methoxy(methyl)amino]methyl]cyclohexan-1-amine
CID 114396562
2-[[methyl-(2-methylcyclohexyl)amino]methyl]cycloheptan-1-amine
CID 62609656

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)cycloheptan-1-amine?
The IUPAC name of 2-(diethylaminomethyl)cycloheptan-1-amine (CID 62616063) is 2-(diethylaminomethyl)cycloheptan-1-amine.
What is the SMILES notation for 2-(diethylaminomethyl)cycloheptan-1-amine?
The canonical SMILES for 2-(diethylaminomethyl)cycloheptan-1-amine is CCN(CC)CC1CCCCCC1N.
What is the InChIKey of 2-(diethylaminomethyl)cycloheptan-1-amine?
The InChIKey is HAVZSDVDJAMCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-14(4-2)10-11-8-6-5-7-9-12(11)13/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 2-(diethylaminomethyl)cycloheptan-1-amine?
2-(diethylaminomethyl)cycloheptan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)cycloheptan-1-amine is sourced from PubChem (CID 62616063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).