4-(4-cyclopropylpiperazin-1-yl)-3-methylbutan-1-amine

C12H25N3 — CID 80544135

IUPAC4-(4-cyclopropylpiperazin-1-yl)-3-methylbutan-1-amine
SMILESCC(CCN)CN1CCN(C2CC2)CC1
InChIInChI=1S/C12H25N3/c1-11(4-5-13)10-14-6-8-15(9-7-14)12-2-3-12/h11-12H,2-10,13H2,1H3
InChIKeyBIWXRQJVDDNCIY-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.75
Rot. Bonds5

About 4-(4-cyclopropylpiperazin-1-yl)-3-methylbutan-1-amine

4-(4-cyclopropylpiperazin-1-yl)-3-methylbutan-1-amine (PubChem CID 80544135) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-(4-cyclopropylpiperazin-1-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-(4-cyclopropylpiperazin-1-yl)-3-methylbutan-1-amine
PubChem CID80544135
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name4-(4-cyclopropylpiperazin-1-yl)-3-methylbutan-1-amine
SMILESCC(CCN)CN1CCN(C2CC2)CC1
InChIInChI=1S/C12H25N3/c1-11(4-5-13)10-14-6-8-15(9-7-14)12-2-3-12/h11-12H,2-10,13H2,1H3
InChIKeyBIWXRQJVDDNCIY-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-methylbutan-1-amine
CID 80544084
3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497335
3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine
CID 80544082
3-methyl-4-thiomorpholin-4-ylbutan-1-amine
CID 80544101
4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine
CID 80544205
1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine
CID 155459870
3-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-methylpropan-1-amine
CID 54914507
4-methyl-5-(4-propan-2-ylpiperidin-1-yl)pentan-1-amine
CID 103497584
4-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-amine
CID 80544143
1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine
CID 156885108
(2S)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 103934754
4-methyl-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine
CID 104681883

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylpiperazin-1-yl)-3-methylbutan-1-amine?
The IUPAC name of 4-(4-cyclopropylpiperazin-1-yl)-3-methylbutan-1-amine (CID 80544135) is 4-(4-cyclopropylpiperazin-1-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 4-(4-cyclopropylpiperazin-1-yl)-3-methylbutan-1-amine?
The canonical SMILES for 4-(4-cyclopropylpiperazin-1-yl)-3-methylbutan-1-amine is CC(CCN)CN1CCN(C2CC2)CC1.
What is the InChIKey of 4-(4-cyclopropylpiperazin-1-yl)-3-methylbutan-1-amine?
The InChIKey is BIWXRQJVDDNCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-11(4-5-13)10-14-6-8-15(9-7-14)12-2-3-12/h11-12H,2-10,13H2,1H3.
What are the key properties of 4-(4-cyclopropylpiperazin-1-yl)-3-methylbutan-1-amine?
4-(4-cyclopropylpiperazin-1-yl)-3-methylbutan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylpiperazin-1-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 80544135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).