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

C20H35N3 — CID 155707430

IUPACN-[[4-[[4-(2-methylbutyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine
SMILESCCC(C)CN1CCN(Cc2ccc(CNC(C)C)cc2)CC1
InChIInChI=1S/C20H35N3/c1-5-18(4)15-22-10-12-23(13-11-22)16-20-8-6-19(7-9-20)14-21-17(2)3/h6-9,17-18,21H,5,10-16H2,1-4H3
InChIKeyHQAPTJGKPBQMDE-UHFFFAOYSA-N
MW317.52 g/mol
LogP3.35
Rot. Bonds8

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

N-[[4-[[4-(2-methylbutyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine (PubChem CID 155707430) has the molecular formula C20H35N3 and a molecular weight of 317.52 g/mol. Its IUPAC name is N-[[4-[[4-(2-methylbutyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[[4-(2-methylbutyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine
PubChem CID155707430
Molecular FormulaC20H35N3
Molecular Weight317.52 g/mol
Exact Mass317.28
IUPAC NameN-[[4-[[4-(2-methylbutyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine
SMILESCCC(C)CN1CCN(Cc2ccc(CNC(C)C)cc2)CC1
InChIInChI=1S/C20H35N3/c1-5-18(4)15-22-10-12-23(13-11-22)16-20-8-6-19(7-9-20)14-21-17(2)3/h6-9,17-18,21H,5,10-16H2,1-4H3
InChIKeyHQAPTJGKPBQMDE-UHFFFAOYSA-N
XLogP3.35
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419563
N-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen
CID 155740671
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547
N,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine
CID 62433546
N-[[4-[(4,4-dimethylazepan-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 65286612
N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419918
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43281242
1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine
CID 167264369
2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 43252940
N-(5-methylheptan-3-yl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 43684561
N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]propan-2-amine
CID 105346654
N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434906

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-(2-methylbutyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[[4-(2-methylbutyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine (CID 155707430) is N-[[4-[[4-(2-methylbutyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[[4-(2-methylbutyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[[4-(2-methylbutyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine is CCC(C)CN1CCN(Cc2ccc(CNC(C)C)cc2)CC1.
What is the InChIKey of N-[[4-[[4-(2-methylbutyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine?
The InChIKey is HQAPTJGKPBQMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3/c1-5-18(4)15-22-10-12-23(13-11-22)16-20-8-6-19(7-9-20)14-21-17(2)3/h6-9,17-18,21H,5,10-16H2,1-4H3.
What are the key properties of N-[[4-[[4-(2-methylbutyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine?
N-[[4-[[4-(2-methylbutyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine has a molecular weight of 317.52 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-(2-methylbutyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 155707430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).