N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine

C17H29N3 — CID 62433615

IUPACN-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCN(C(C)C)CC2)c1
InChIInChI=1S/C17H29N3/c1-4-18-13-16-6-5-7-17(12-16)14-19-8-10-20(11-9-19)15(2)3/h5-7,12,15,18H,4,8-11,13-14H2,1-3H3
InChIKeyDAESOHVCMXYIMY-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.32
Rot. Bonds6

About N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine

N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine (PubChem CID 62433615) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
PubChem CID62433615
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCN(C(C)C)CC2)c1
InChIInChI=1S/C17H29N3/c1-4-18-13-16-6-5-7-17(12-16)14-19-8-10-20(11-9-19)15(2)3/h5-7,12,15,18H,4,8-11,13-14H2,1-3H3
InChIKeyDAESOHVCMXYIMY-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62433616
N-[[3-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62425610
1-[(3-nonylphenyl)methyl]-4-propan-2-ylpiperazine
CID 167109777
N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62974479
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 55216612
N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419918
[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenoxy]boronic acid
CID 142785030
N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]ethanamine
CID 66371224
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid
CID 17366637
N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine
CID 64583996
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine (CID 62433615) is N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine is CCNCc1cccc(CN2CCN(C(C)C)CC2)c1.
What is the InChIKey of N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine?
The InChIKey is DAESOHVCMXYIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-18-13-16-6-5-7-17(12-16)14-19-8-10-20(11-9-19)15(2)3/h5-7,12,15,18H,4,8-11,13-14H2,1-3H3.
What are the key properties of N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine?
N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62433615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).