1-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine

C14H30N2O2 — CID 60894029

IUPAC1-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine
SMILESCOCCN(CCOC)C1(CN)CCCCCC1
InChIInChI=1S/C14H30N2O2/c1-17-11-9-16(10-12-18-2)14(13-15)7-5-3-4-6-8-14/h3-13,15H2,1-2H3
InChIKeyLLDITWBZNHZKBO-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.63
Rot. Bonds8

About 1-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine

1-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine (PubChem CID 60894029) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine
PubChem CID60894029
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine
SMILESCOCCN(CCOC)C1(CN)CCCCCC1
InChIInChI=1S/C14H30N2O2/c1-17-11-9-16(10-12-18-2)14(13-15)7-5-3-4-6-8-14/h3-13,15H2,1-2H3
InChIKeyLLDITWBZNHZKBO-UHFFFAOYSA-N
XLogP1.63
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 62007526
1-(aminomethyl)-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 62008728
1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 62009113
1-(aminomethyl)-N-methyl-N-[2-(trifluoromethoxy)ethyl]cycloheptan-1-amine
CID 65805583
1-(aminomethyl)-N-ethyl-N-[2-(trifluoromethoxy)ethyl]cycloheptan-1-amine
CID 65805793
1-(aminomethyl)-N-propyl-N-[2-(trifluoromethoxy)ethyl]cycloheptan-1-amine
CID 65805794
(1-Morpholinocycloheptyl)methanamine
CID 16774192
N-methyl-1-(1-morpholin-4-ylcycloheptyl)methanamine
CID 57697835
[1-(2,6-Dimethylmorpholin-4-yl)cycloheptyl]methanamine
CID 24697713
[1-(2-Methylmorpholin-4-yl)cycloheptyl]methanamine
CID 24701265
[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cycloheptyl]methanamine
CID 28188785
2-Methyl-2-morpholin-4-yloctan-1-amine
CID 43130135

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine (CID 60894029) is 1-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine is COCCN(CCOC)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine?
The InChIKey is LLDITWBZNHZKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-17-11-9-16(10-12-18-2)14(13-15)7-5-3-4-6-8-14/h3-13,15H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine?
1-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine is sourced from PubChem (CID 60894029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).