2-(3,4,5-trimethylpiperazin-1-yl)cycloheptan-1-amine

C14H29N3 — CID 114537803

IUPAC2-(3,4,5-trimethylpiperazin-1-yl)cycloheptan-1-amine
SMILESCC1CN(C2CCCCCC2N)CC(C)N1C
InChIInChI=1S/C14H29N3/c1-11-9-17(10-12(2)16(11)3)14-8-6-4-5-7-13(14)15/h11-14H,4-10,15H2,1-3H3
InChIKeyFBOKEUZGZXRFDC-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.67
Rot. Bonds1

About 2-(3,4,5-trimethylpiperazin-1-yl)cycloheptan-1-amine

2-(3,4,5-trimethylpiperazin-1-yl)cycloheptan-1-amine (PubChem CID 114537803) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-(3,4,5-trimethylpiperazin-1-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(3,4,5-trimethylpiperazin-1-yl)cycloheptan-1-amine
PubChem CID114537803
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-(3,4,5-trimethylpiperazin-1-yl)cycloheptan-1-amine
SMILESCC1CN(C2CCCCCC2N)CC(C)N1C
InChIInChI=1S/C14H29N3/c1-11-9-17(10-12(2)16(11)3)14-8-6-4-5-7-13(14)15/h11-14H,4-10,15H2,1-3H3
InChIKeyFBOKEUZGZXRFDC-UHFFFAOYSA-N
XLogP1.67
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylpiperazin-1-yl)cyclohexan-1-amine
CID 63609475
2-(3-propan-2-ylazetidin-1-yl)cycloheptan-1-amine
CID 79678858
2-(3,4-dimethylpyrrolidin-1-yl)cyclopentan-1-amine
CID 79188038
2-(4-methylpiperazin-1-yl)cyclododecan-1-amine
CID 16790088
4-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine
CID 114537762
2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexan-1-amine
CID 63610861
7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 114537727
2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 114540602
2-(3-ethylazetidin-1-yl)cyclopentan-1-amine
CID 79678496
2-(2-methylpyrrolidin-1-yl)cyclooctan-1-amine
CID 60973336
N-propyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine
CID 114537740
cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride
CID 66680564

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethylpiperazin-1-yl)cycloheptan-1-amine?
The IUPAC name of 2-(3,4,5-trimethylpiperazin-1-yl)cycloheptan-1-amine (CID 114537803) is 2-(3,4,5-trimethylpiperazin-1-yl)cycloheptan-1-amine.
What is the SMILES notation for 2-(3,4,5-trimethylpiperazin-1-yl)cycloheptan-1-amine?
The canonical SMILES for 2-(3,4,5-trimethylpiperazin-1-yl)cycloheptan-1-amine is CC1CN(C2CCCCCC2N)CC(C)N1C.
What is the InChIKey of 2-(3,4,5-trimethylpiperazin-1-yl)cycloheptan-1-amine?
The InChIKey is FBOKEUZGZXRFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-11-9-17(10-12(2)16(11)3)14-8-6-4-5-7-13(14)15/h11-14H,4-10,15H2,1-3H3.
What are the key properties of 2-(3,4,5-trimethylpiperazin-1-yl)cycloheptan-1-amine?
2-(3,4,5-trimethylpiperazin-1-yl)cycloheptan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethylpiperazin-1-yl)cycloheptan-1-amine is sourced from PubChem (CID 114537803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).