1-N-(1-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine

C12H21N3 — CID 103388013

IUPAC1-N-(1-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
SMILESCc1cc(N(C)C)ccc1NC(C)CN
InChIInChI=1S/C12H21N3/c1-9-7-11(15(3)4)5-6-12(9)14-10(2)8-13/h5-7,10,14H,8,13H2,1-4H3
InChIKeyOMPQPOKWHZYWRT-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.82
Rot. Bonds4

About 1-N-(1-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine

1-N-(1-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine (PubChem CID 103388013) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-N-(1-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(1-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
PubChem CID103388013
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-N-(1-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
SMILESCc1cc(N(C)C)ccc1NC(C)CN
InChIInChI=1S/C12H21N3/c1-9-7-11(15(3)4)5-6-12(9)14-10(2)8-13/h5-7,10,14H,8,13H2,1-4H3
InChIKeyOMPQPOKWHZYWRT-UHFFFAOYSA-N
XLogP1.82
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine
CID 103388462
1-N-(3-methoxybutan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 115916626
4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine
CID 43779641
4-(1-aminopropan-2-ylamino)-3-methylbenzonitrile
CID 63733387
1-N-[1-(4-iodophenyl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 43779637
1-N-[1-(furan-2-yl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 43677033
4-N,4-N,2-trimethyl-1-N-(2-methylpentyl)benzene-1,4-diamine
CID 43676865
4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol
CID 106954059
2-[1-[4-(dimethylamino)-2-methylanilino]propyl]phenol
CID 43676976
4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine
CID 115916628
2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide
CID 60853749
2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide
CID 43700591

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(1-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine (CID 103388013) is 1-N-(1-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(1-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(1-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine is Cc1cc(N(C)C)ccc1NC(C)CN.
What is the InChIKey of 1-N-(1-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The InChIKey is OMPQPOKWHZYWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9-7-11(15(3)4)5-6-12(9)14-10(2)8-13/h5-7,10,14H,8,13H2,1-4H3.
What are the key properties of 1-N-(1-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine?
1-N-(1-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine is sourced from PubChem (CID 103388013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).