1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine

C14H24N2 — CID 86210277

IUPAC1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine
SMILESCC(C)CNc1cccc(NCC(C)C)c1
InChIInChI=1S/C14H24N2/c1-11(2)9-15-13-6-5-7-14(8-13)16-10-12(3)4/h5-8,11-12,15-16H,9-10H2,1-4H3
InChIKeyIFPNMSWNEMEYIH-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.82
Rot. Bonds6

About 1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine

1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine (PubChem CID 86210277) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine
PubChem CID86210277
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine
SMILESCC(C)CNc1cccc(NCC(C)C)c1
InChIInChI=1S/C14H24N2/c1-11(2)9-15-13-6-5-7-14(8-13)16-10-12(3)4/h5-8,11-12,15-16H,9-10H2,1-4H3
InChIKeyIFPNMSWNEMEYIH-UHFFFAOYSA-N
XLogP3.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2-methylpropyl)benzene-1,3-diamine
CID 43132719
3-(difluoromethoxy)-N-(2-methylpropyl)aniline
CID 43698814
N-methyl-3-(2-methylpropylamino)benzenesulfonamide
CID 43688509
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
N-ethyl-3-(2-methylpropylamino)benzamide
CID 43680721
3-[2-(dimethylamino)ethoxy]-N-(2-methylpropyl)aniline
CID 43720849
2-[3-(2-methylpropylamino)phenoxy]acetamide
CID 43720195
(2S)-1-(3-methylanilino)propan-2-ol
CID 39236026
3-methyl-N-(2-methylbutyl)aniline
CID 43103774
(2R)-1-(3-methylanilino)propan-2-ol
CID 39236024
4-(aminomethyl)-N-(2-methylpropyl)aniline
CID 83962134
4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine
CID 83945325

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine (CID 86210277) is 1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine is CC(C)CNc1cccc(NCC(C)C)c1.
What is the InChIKey of 1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine?
The InChIKey is IFPNMSWNEMEYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(2)9-15-13-6-5-7-14(8-13)16-10-12(3)4/h5-8,11-12,15-16H,9-10H2,1-4H3.
What are the key properties of 1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine?
1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine is sourced from PubChem (CID 86210277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).