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

C17H29N3 — CID 43585499

IUPACN-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1N1CCN(C(C)C)CC1
InChIInChI=1S/C17H29N3/c1-4-9-18-14-16-7-5-6-8-17(16)20-12-10-19(11-13-20)15(2)3/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyFHGQKJMDWLJWNM-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.72
Rot. Bonds6

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

N-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine (PubChem CID 43585499) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine
PubChem CID43585499
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1N1CCN(C(C)C)CC1
InChIInChI=1S/C17H29N3/c1-4-9-18-14-16-7-5-6-8-17(16)20-12-10-19(11-13-20)15(2)3/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyFHGQKJMDWLJWNM-UHFFFAOYSA-N
XLogP2.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.72
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

N-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine
CID 43585498
1-[1-[2-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106836661
N-[[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]propan-1-amine
CID 43281328
2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]ethanol
CID 117374519
1-[2-(propylaminomethyl)phenyl]-1,4-diazepan-5-one
CID 63004166
N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63060169
3-methyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-ol
CID 103356921
N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine
CID 63165160
[1-[2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590495
2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 63059430
2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 112727664
N-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62282587

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine (CID 43585499) is N-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine is CCCNCc1ccccc1N1CCN(C(C)C)CC1.
What is the InChIKey of N-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine?
The InChIKey is FHGQKJMDWLJWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-9-18-14-16-7-5-6-8-17(16)20-12-10-19(11-13-20)15(2)3/h5-8,15,18H,4,9-14H2,1-3H3.
What are the key properties of N-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine?
N-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 43585499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).