N-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen

C19H35N3 — CID 155740671

IUPACN-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen
SMILESCC(C)CN1CCN(Cc2ccc(CNC(C)C)cc2)CC1.[H][H]
InChIInChI=1S/C19H33N3.H2/c1-16(2)14-21-9-11-22(12-10-21)15-19-7-5-18(6-8-19)13-20-17(3)4;/h5-8,16-17,20H,9-15H2,1-4H3;1H
InChIKeyMNGOXRKPZAOWQV-UHFFFAOYSA-N
MW305.51 g/mol
LogP3.20
Rot. Bonds7

About N-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen

N-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen (PubChem CID 155740671) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is N-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen.

Molecular Properties

Compound NameN-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen
PubChem CID155740671
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC NameN-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen
SMILESCC(C)CN1CCN(Cc2ccc(CNC(C)C)cc2)CC1.[H][H]
InChIInChI=1S/C19H33N3.H2/c1-16(2)14-21-9-11-22(12-10-21)15-19-7-5-18(6-8-19)13-20-17(3)4;/h5-8,16-17,20H,9-15H2,1-4H3;1H
InChIKeyMNGOXRKPZAOWQV-UHFFFAOYSA-N
XLogP3.20
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[[4-(2-methylbutyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine
CID 155707430
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419563
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547
ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen
CID 156794443
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 113222701
N,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine
CID 62433546
1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine
CID 167264369
N-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]ethanamine
CID 155200662
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
2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 60962171
3-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butan-1-amine
CID 83962751

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen?
The IUPAC name of N-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen (CID 155740671) is N-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen.
What is the SMILES notation for N-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen?
The canonical SMILES for N-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen is CC(C)CN1CCN(Cc2ccc(CNC(C)C)cc2)CC1.[H][H].
What is the InChIKey of N-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen?
The InChIKey is MNGOXRKPZAOWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3.H2/c1-16(2)14-21-9-11-22(12-10-21)15-19-7-5-18(6-8-19)13-20-17(3)4;/h5-8,16-17,20H,9-15H2,1-4H3;1H.
What are the key properties of N-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen?
N-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen has a molecular weight of 305.51 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen is sourced from PubChem (CID 155740671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).