1-N,1-N-dibenzyl-4,4-dimethylpentane-1,3-diamine

C21H30N2 — CID 82171517

IUPAC1-N,1-N-dibenzyl-4,4-dimethylpentane-1,3-diamine
SMILESCC(C)(C)C(N)CCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H30N2/c1-21(2,3)20(22)14-15-23(16-18-10-6-4-7-11-18)17-19-12-8-5-9-13-19/h4-13,20H,14-17,22H2,1-3H3
InChIKeySDTKQUVPYSGNDA-UHFFFAOYSA-N
MW310.49 g/mol
LogP4.45
Rot. Bonds7

About 1-N,1-N-dibenzyl-4,4-dimethylpentane-1,3-diamine

1-N,1-N-dibenzyl-4,4-dimethylpentane-1,3-diamine (PubChem CID 82171517) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 1-N,1-N-dibenzyl-4,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dibenzyl-4,4-dimethylpentane-1,3-diamine
PubChem CID82171517
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC Name1-N,1-N-dibenzyl-4,4-dimethylpentane-1,3-diamine
SMILESCC(C)(C)C(N)CCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H30N2/c1-21(2,3)20(22)14-15-23(16-18-10-6-4-7-11-18)17-19-12-8-5-9-13-19/h4-13,20H,14-17,22H2,1-3H3
InChIKeySDTKQUVPYSGNDA-UHFFFAOYSA-N
XLogP4.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-N-benzyl-1-N-ethyl-3,3-dimethylbutane-1,2-diamine
CID 130522054
N,N-dibenzyl-3-fluorobutan-1-amine
CID 146026294
N,N-dibenzylpropan-1-amine
CID 10840212
N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine
CID 174802109
2-[benzyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol
CID 62624616
2-[[(3R)-3-aminobutyl]-benzylamino]acetic acid
CID 156632767
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine
CID 55098522
N,N-dibenzyl-2-[(2-methylpropan-2-yl)oxy]ethanamine;methane
CID 157145048
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
1-N-[(3-methoxyphenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine
CID 55098188
1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine
CID 65266664

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dibenzyl-4,4-dimethylpentane-1,3-diamine?
The IUPAC name of 1-N,1-N-dibenzyl-4,4-dimethylpentane-1,3-diamine (CID 82171517) is 1-N,1-N-dibenzyl-4,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dibenzyl-4,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 1-N,1-N-dibenzyl-4,4-dimethylpentane-1,3-diamine is CC(C)(C)C(N)CCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-N,1-N-dibenzyl-4,4-dimethylpentane-1,3-diamine?
The InChIKey is SDTKQUVPYSGNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-21(2,3)20(22)14-15-23(16-18-10-6-4-7-11-18)17-19-12-8-5-9-13-19/h4-13,20H,14-17,22H2,1-3H3.
What are the key properties of 1-N,1-N-dibenzyl-4,4-dimethylpentane-1,3-diamine?
1-N,1-N-dibenzyl-4,4-dimethylpentane-1,3-diamine has a molecular weight of 310.49 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dibenzyl-4,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 82171517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).