1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylpropan-2-amine

C14H29N3 — CID 62775737

IUPAC1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylpropan-2-amine
SMILESCCC(C)N1CCN(CC(C)(N)C2CC2)CC1
InChIInChI=1S/C14H29N3/c1-4-12(2)17-9-7-16(8-10-17)11-14(3,15)13-5-6-13/h12-13H,4-11,15H2,1-3H3
InChIKeyUQKHPLWBYYZAEZ-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.53
Rot. Bonds5

About 1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylpropan-2-amine

1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylpropan-2-amine (PubChem CID 62775737) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylpropan-2-amine.

Molecular Properties

Compound Name1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylpropan-2-amine
PubChem CID62775737
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylpropan-2-amine
SMILESCCC(C)N1CCN(CC(C)(N)C2CC2)CC1
InChIInChI=1S/C14H29N3/c1-4-12(2)17-9-7-16(8-10-17)11-14(3,15)13-5-6-13/h12-13H,4-11,15H2,1-3H3
InChIKeyUQKHPLWBYYZAEZ-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine
CID 122645241
2-amino-3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile
CID 62773087
3-(4-butan-2-ylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64788398
3-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63913794
2-cyclopropyl-1-(4,4-diethylpiperidin-1-yl)propan-2-amine
CID 55159305
2-cyclopropyl-1-(1,4-thiazepan-4-yl)propan-2-amine
CID 61419807
3-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 64788397
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine
CID 62774634
2-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-amine
CID 55141867
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N,2-dimethylpentan-1-amine
CID 62773673
1-butan-2-yl-4-tert-butyl-4-methylpiperidine
CID 174167928
5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254432

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylpropan-2-amine?
The IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylpropan-2-amine (CID 62775737) is 1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylpropan-2-amine.
What is the SMILES notation for 1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylpropan-2-amine?
The canonical SMILES for 1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylpropan-2-amine is CCC(C)N1CCN(CC(C)(N)C2CC2)CC1.
What is the InChIKey of 1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylpropan-2-amine?
The InChIKey is UQKHPLWBYYZAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-12(2)17-9-7-16(8-10-17)11-14(3,15)13-5-6-13/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylpropan-2-amine?
1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylpropan-2-amine has a molecular weight of 239.41 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylpropan-2-amine is sourced from PubChem (CID 62775737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).