4-(5-cyclopropyl-2-methylpiperazin-1-yl)-N,N-dimethylbutan-1-amine

C14H29N3 — CID 64946394

IUPAC4-(5-cyclopropyl-2-methylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
SMILESCC1CNC(C2CC2)CN1CCCCN(C)C
InChIInChI=1S/C14H29N3/c1-12-10-15-14(13-6-7-13)11-17(12)9-5-4-8-16(2)3/h12-15H,4-11H2,1-3H3
InChIKeyLKDSUQOTJXSOQU-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds6

About 4-(5-cyclopropyl-2-methylpiperazin-1-yl)-N,N-dimethylbutan-1-amine

4-(5-cyclopropyl-2-methylpiperazin-1-yl)-N,N-dimethylbutan-1-amine (PubChem CID 64946394) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 4-(5-cyclopropyl-2-methylpiperazin-1-yl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(5-cyclopropyl-2-methylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
PubChem CID64946394
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name4-(5-cyclopropyl-2-methylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
SMILESCC1CNC(C2CC2)CN1CCCCN(C)C
InChIInChI=1S/C14H29N3/c1-12-10-15-14(13-6-7-13)11-17(12)9-5-4-8-16(2)3/h12-15H,4-11H2,1-3H3
InChIKeyLKDSUQOTJXSOQU-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-1-hex-5-ynyl-2-methylpiperazine
CID 106211645
5-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine
CID 64862396
5-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-2-methylpiperazine
CID 64862014
5-cyclohexyl-1-(3-methoxypropyl)-2-methylpiperazine
CID 64860169
2,5-dicyclopropyl-1-pentylpiperazine
CID 64859934
5-cyclopropyl-2-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine
CID 114469746
4-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64946958
1-[2-(cyclopenten-1-yl)ethyl]-5-cyclopropyl-2-methylpiperazine
CID 114153752
2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64942156
3-(5-benzyl-2-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64936533
3-cyclopropyl-1-(3-ethoxypropyl)-7-methyl-1,4-diazepane
CID 65177699
5-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64860286

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-2-methylpiperazin-1-yl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(5-cyclopropyl-2-methylpiperazin-1-yl)-N,N-dimethylbutan-1-amine (CID 64946394) is 4-(5-cyclopropyl-2-methylpiperazin-1-yl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(5-cyclopropyl-2-methylpiperazin-1-yl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(5-cyclopropyl-2-methylpiperazin-1-yl)-N,N-dimethylbutan-1-amine is CC1CNC(C2CC2)CN1CCCCN(C)C.
What is the InChIKey of 4-(5-cyclopropyl-2-methylpiperazin-1-yl)-N,N-dimethylbutan-1-amine?
The InChIKey is LKDSUQOTJXSOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12-10-15-14(13-6-7-13)11-17(12)9-5-4-8-16(2)3/h12-15H,4-11H2,1-3H3.
What are the key properties of 4-(5-cyclopropyl-2-methylpiperazin-1-yl)-N,N-dimethylbutan-1-amine?
4-(5-cyclopropyl-2-methylpiperazin-1-yl)-N,N-dimethylbutan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-2-methylpiperazin-1-yl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 64946394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).