3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine

C22H32N2 — CID 130158972

IUPAC3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine
SMILESCC(C)CNCCC(C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H32N2/c1-19(2)16-23-15-14-20(3)24(17-21-10-6-4-7-11-21)18-22-12-8-5-9-13-22/h4-13,19-20,23H,14-18H2,1-3H3
InChIKeyBHUINFAWIFSSPW-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.71
Rot. Bonds10

About 3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine

3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine (PubChem CID 130158972) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine
PubChem CID130158972
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine
SMILESCC(C)CNCCC(C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H32N2/c1-19(2)16-23-15-14-20(3)24(17-21-10-6-4-7-11-21)18-22-12-8-5-9-13-22/h4-13,19-20,23H,14-18H2,1-3H3
InChIKeyBHUINFAWIFSSPW-UHFFFAOYSA-N
XLogP4.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine
CID 62423460
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
(2S)-2-(dibenzylamino)-5-methylhexanal
CID 11461035
4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine
CID 62418482
N-[[1-[[benzyl(propan-2-yl)amino]methyl]cycloheptyl]methyl]-2-methylpropan-1-amine
CID 113242307
(4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine
CID 155935553
3-[benzyl(ethyl)amino]butan-1-ol
CID 134382987
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
3-N,3-N-dibutyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 55195808
N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80998488
N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 62424928
methyl N-[(2S)-2-(dibenzylamino)propyl]carbamate
CID 10913976

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine?
The IUPAC name of 3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine (CID 130158972) is 3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine?
The canonical SMILES for 3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine is CC(C)CNCCC(C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine?
The InChIKey is BHUINFAWIFSSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2/c1-19(2)16-23-15-14-20(3)24(17-21-10-6-4-7-11-21)18-22-12-8-5-9-13-22/h4-13,19-20,23H,14-18H2,1-3H3.
What are the key properties of 3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine?
3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine has a molecular weight of 324.51 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine is sourced from PubChem (CID 130158972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).