1-(aminomethyl)-N-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptan-1-amine

C17H36N4 — CID 82888247

IUPAC1-(aminomethyl)-N-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptan-1-amine
SMILESCCN(CCN1CCN(C)CC1)C1(CN)CCCCCC1
InChIInChI=1S/C17H36N4/c1-3-21(15-14-20-12-10-19(2)11-13-20)17(16-18)8-6-4-5-7-9-17/h3-16,18H2,1-2H3
InChIKeyTXEOXIZZHBXXPC-UHFFFAOYSA-N
MW296.50 g/mol
LogP1.61
Rot. Bonds6

About 1-(aminomethyl)-N-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptan-1-amine

1-(aminomethyl)-N-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptan-1-amine (PubChem CID 82888247) has the molecular formula C17H36N4 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptan-1-amine
PubChem CID82888247
Molecular FormulaC17H36N4
Molecular Weight296.50 g/mol
Exact Mass296.29
IUPAC Name1-(aminomethyl)-N-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptan-1-amine
SMILESCCN(CCN1CCN(C)CC1)C1(CN)CCCCCC1
InChIInChI=1S/C17H36N4/c1-3-21(15-14-20-12-10-19(2)11-13-20)17(16-18)8-6-4-5-7-9-17/h3-16,18H2,1-2H3
InChIKeyTXEOXIZZHBXXPC-UHFFFAOYSA-N
XLogP1.61
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 62005984
1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476
1-(aminomethyl)-N-(2-morpholin-4-ylethyl)-N-propylcyclohexan-1-amine
CID 62006191
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)cyclopentan-1-amine
CID 80698631
1-(aminomethyl)-N-butyl-N-ethylcyclododecan-1-amine
CID 60709925
1-(aminomethyl)-N-ethyl-N-(2-pyrazol-1-ylethyl)cycloheptan-1-amine
CID 62010529
4-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1-methylpiperidin-4-amine
CID 61448644
N'-[1-(aminomethyl)cyclopentyl]-N,N,N'-triethylethane-1,2-diamine
CID 62010550
1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cyclopentan-1-amine
CID 81106190
1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine
CID 63481513
3-[[1-(aminomethyl)cyclohexyl]-ethylamino]propan-1-ol
CID 62005069
4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine
CID 65074989

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptan-1-amine (CID 82888247) is 1-(aminomethyl)-N-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptan-1-amine is CCN(CCN1CCN(C)CC1)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptan-1-amine?
The InChIKey is TXEOXIZZHBXXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4/c1-3-21(15-14-20-12-10-19(2)11-13-20)17(16-18)8-6-4-5-7-9-17/h3-16,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptan-1-amine?
1-(aminomethyl)-N-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptan-1-amine is sourced from PubChem (CID 82888247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).