1-(2,2-dimethyl-3-piperazin-1-ylpropyl)cyclopropan-1-amine

C12H25N3 — CID 115027592

IUPAC1-(2,2-dimethyl-3-piperazin-1-ylpropyl)cyclopropan-1-amine
SMILESCC(C)(CN1CCNCC1)CC1(N)CC1
InChIInChI=1S/C12H25N3/c1-11(2,9-12(13)3-4-12)10-15-7-5-14-6-8-15/h14H,3-10,13H2,1-2H3
InChIKeyATODXCJFZDLPEY-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.80
Rot. Bonds4

About 1-(2,2-dimethyl-3-piperazin-1-ylpropyl)cyclopropan-1-amine

1-(2,2-dimethyl-3-piperazin-1-ylpropyl)cyclopropan-1-amine (PubChem CID 115027592) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3-piperazin-1-ylpropyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethyl-3-piperazin-1-ylpropyl)cyclopropan-1-amine
PubChem CID115027592
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-(2,2-dimethyl-3-piperazin-1-ylpropyl)cyclopropan-1-amine
SMILESCC(C)(CN1CCNCC1)CC1(N)CC1
InChIInChI=1S/C12H25N3/c1-11(2,9-12(13)3-4-12)10-15-7-5-14-6-8-15/h14H,3-10,13H2,1-2H3
InChIKeyATODXCJFZDLPEY-UHFFFAOYSA-N
XLogP0.80
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpentyl)piperazine
CID 83530331
1-(2,2,4,4-tetramethylhexyl)piperazine
CID 134351462
N,2,2,4,4-pentamethyl-5-piperazin-1-ylpentan-1-amine
CID 142492050
N,N,2-trimethyl-1-piperazin-1-ylpropan-2-amine
CID 50852334
1-piperazin-1-ylbutane-2,2-diamine
CID 57309719
2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine
CID 116946567
1,2-di(piperazin-1-yl)propan-2-ol
CID 57284131
N-(cyclohexylmethyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 115255287
1-(2,2-dimethylpropyl)cyclopropan-1-amine;hydrochloride
CID 51000356
1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride
CID 130762964
1-(2-cyclobutyl-2-methylpropyl)piperazine
CID 116829836
1-[3-(diethylamino)-2,2-dimethylpropyl]cyclopropan-1-amine
CID 115021570

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3-piperazin-1-ylpropyl)cyclopropan-1-amine?
The IUPAC name of 1-(2,2-dimethyl-3-piperazin-1-ylpropyl)cyclopropan-1-amine (CID 115027592) is 1-(2,2-dimethyl-3-piperazin-1-ylpropyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2,2-dimethyl-3-piperazin-1-ylpropyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2,2-dimethyl-3-piperazin-1-ylpropyl)cyclopropan-1-amine is CC(C)(CN1CCNCC1)CC1(N)CC1.
What is the InChIKey of 1-(2,2-dimethyl-3-piperazin-1-ylpropyl)cyclopropan-1-amine?
The InChIKey is ATODXCJFZDLPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-11(2,9-12(13)3-4-12)10-15-7-5-14-6-8-15/h14H,3-10,13H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-3-piperazin-1-ylpropyl)cyclopropan-1-amine?
1-(2,2-dimethyl-3-piperazin-1-ylpropyl)cyclopropan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3-piperazin-1-ylpropyl)cyclopropan-1-amine is sourced from PubChem (CID 115027592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).