N-[1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]propan-1-amine

C18H31N3 — CID 43585360

IUPACN-[1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(N2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C18H31N3/c1-5-10-19-16(4)17-6-8-18(9-7-17)21-13-11-20(12-14-21)15(2)3/h6-9,15-16,19H,5,10-14H2,1-4H3
InChIKeyRJWIRORYZJJVMD-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.28
Rot. Bonds6

About N-[1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]propan-1-amine

N-[1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]propan-1-amine (PubChem CID 43585360) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]propan-1-amine
PubChem CID43585360
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(N2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C18H31N3/c1-5-10-19-16(4)17-6-8-18(9-7-17)21-13-11-20(12-14-21)15(2)3/h6-9,15-16,19H,5,10-14H2,1-4H3
InChIKeyRJWIRORYZJJVMD-UHFFFAOYSA-N
XLogP3.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(4,4-dimethylpiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 62936571
N-[1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 63533758
N-[1-[4-(3-tert-butylazetidin-1-yl)phenyl]ethyl]propan-1-amine
CID 79686737
N-[1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethyl]propan-1-amine
CID 63015016
N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283918
N-[1-[4-(2-methylazetidin-1-yl)phenyl]ethyl]propan-1-amine
CID 79687163
N-[1-[4-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine
CID 43562789
2-[1-[4-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 114798062
1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 43284244
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]propan-1-amine (CID 43585360) is N-[1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(N2CCN(C(C)C)CC2)cc1.
What is the InChIKey of N-[1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is RJWIRORYZJJVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-10-19-16(4)17-6-8-18(9-7-17)21-13-11-20(12-14-21)15(2)3/h6-9,15-16,19H,5,10-14H2,1-4H3.
What are the key properties of N-[1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]propan-1-amine?
N-[1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43585360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).