N'-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]butane-1,4-diamine

C17H30N4 — CID 83955073

IUPACN'-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]butane-1,4-diamine
SMILESCC(C)N1CCN(c2ccc(NCCCCN)cc2)CC1
InChIInChI=1S/C17H30N4/c1-15(2)20-11-13-21(14-12-20)17-7-5-16(6-8-17)19-10-4-3-9-18/h5-8,15,19H,3-4,9-14,18H2,1-2H3
InChIKeyCLKLCFVGIGCINJ-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.37
Rot. Bonds7

About N'-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]butane-1,4-diamine

N'-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]butane-1,4-diamine (PubChem CID 83955073) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N'-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]butane-1,4-diamine
PubChem CID83955073
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN'-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]butane-1,4-diamine
SMILESCC(C)N1CCN(c2ccc(NCCCCN)cc2)CC1
InChIInChI=1S/C17H30N4/c1-15(2)20-11-13-21(14-12-20)17-7-5-16(6-8-17)19-10-4-3-9-18/h5-8,15,19H,3-4,9-14,18H2,1-2H3
InChIKeyCLKLCFVGIGCINJ-UHFFFAOYSA-N
XLogP2.37
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-propan-2-ylpiperazin-1-yl)anilino]butan-1-ol
CID 112721082
N'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine
CID 83949113
1-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propane-1,2-diamine
CID 83955031
N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine
CID 59230134
N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 119408955
N'-[4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pentane-1,5-diamine
CID 59549646
N'-[4-(3-methylpiperidin-1-yl)phenyl]butane-1,4-diamine
CID 83960848
N'-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]pentane-1,5-diamine
CID 59230661
N-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
CID 112721147
N'-(4-propan-2-ylphenyl)hexane-1,6-diamine
CID 83952205
N-hexyl-4-pyrrolidin-1-ylaniline
CID 43228680
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]butane-1,4-diamine?
The IUPAC name of N'-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]butane-1,4-diamine (CID 83955073) is N'-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]butane-1,4-diamine.
What is the SMILES notation for N'-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]butane-1,4-diamine?
The canonical SMILES for N'-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]butane-1,4-diamine is CC(C)N1CCN(c2ccc(NCCCCN)cc2)CC1.
What is the InChIKey of N'-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]butane-1,4-diamine?
The InChIKey is CLKLCFVGIGCINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-15(2)20-11-13-21(14-12-20)17-7-5-16(6-8-17)19-10-4-3-9-18/h5-8,15,19H,3-4,9-14,18H2,1-2H3.
What are the key properties of N'-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]butane-1,4-diamine?
N'-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]butane-1,4-diamine has a molecular weight of 290.46 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]butane-1,4-diamine is sourced from PubChem (CID 83955073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).