N'-(4-methylphenyl)-N'-[2-(2-methylpropoxy)ethyl]propane-1,3-diamine

C16H28N2O — CID 106450778

IUPACN'-(4-methylphenyl)-N'-[2-(2-methylpropoxy)ethyl]propane-1,3-diamine
SMILESCc1ccc(N(CCCN)CCOCC(C)C)cc1
InChIInChI=1S/C16H28N2O/c1-14(2)13-19-12-11-18(10-4-9-17)16-7-5-15(3)6-8-16/h5-8,14H,4,9-13,17H2,1-3H3
InChIKeySWVWKVVZLUZUMM-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.82
Rot. Bonds9

About N'-(4-methylphenyl)-N'-[2-(2-methylpropoxy)ethyl]propane-1,3-diamine

N'-(4-methylphenyl)-N'-[2-(2-methylpropoxy)ethyl]propane-1,3-diamine (PubChem CID 106450778) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-(4-methylphenyl)-N'-[2-(2-methylpropoxy)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methylphenyl)-N'-[2-(2-methylpropoxy)ethyl]propane-1,3-diamine
PubChem CID106450778
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-(4-methylphenyl)-N'-[2-(2-methylpropoxy)ethyl]propane-1,3-diamine
SMILESCc1ccc(N(CCCN)CCOCC(C)C)cc1
InChIInChI=1S/C16H28N2O/c1-14(2)13-19-12-11-18(10-4-9-17)16-7-5-15(3)6-8-16/h5-8,14H,4,9-13,17H2,1-3H3
InChIKeySWVWKVVZLUZUMM-UHFFFAOYSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine
CID 43136067
N'-(4-methylphenyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 43136052
N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine
CID 104561042
4-methyl-N,N-bis(3-methylbutyl)aniline
CID 138414456
2-[N-(3-aminopropyl)-4-methylanilino]acetic acid
CID 63654241
2-[N-(3-aminopropyl)-4-methylanilino]-N-propan-2-ylacetamide
CID 43318743
2-[N-(3-aminopropyl)-4-methylanilino]-N-methyl-N-propan-2-ylacetamide
CID 43136070
N'-(4-methylphenyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
CID 61494177
N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine
CID 83157179
2-[N-[2-(2-iodopropanoyloxy)ethyl]-4-methylanilino]ethyl 2-iodopropanoate
CID 162508887
2-[N-(2-carbamoyloxyethyl)-4-methylanilino]ethyl carbamate
CID 29550
N-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide
CID 60859443

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)-N'-[2-(2-methylpropoxy)ethyl]propane-1,3-diamine?
The IUPAC name of N'-(4-methylphenyl)-N'-[2-(2-methylpropoxy)ethyl]propane-1,3-diamine (CID 106450778) is N'-(4-methylphenyl)-N'-[2-(2-methylpropoxy)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-(4-methylphenyl)-N'-[2-(2-methylpropoxy)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-(4-methylphenyl)-N'-[2-(2-methylpropoxy)ethyl]propane-1,3-diamine is Cc1ccc(N(CCCN)CCOCC(C)C)cc1.
What is the InChIKey of N'-(4-methylphenyl)-N'-[2-(2-methylpropoxy)ethyl]propane-1,3-diamine?
The InChIKey is SWVWKVVZLUZUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-14(2)13-19-12-11-18(10-4-9-17)16-7-5-15(3)6-8-16/h5-8,14H,4,9-13,17H2,1-3H3.
What are the key properties of N'-(4-methylphenyl)-N'-[2-(2-methylpropoxy)ethyl]propane-1,3-diamine?
N'-(4-methylphenyl)-N'-[2-(2-methylpropoxy)ethyl]propane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)-N'-[2-(2-methylpropoxy)ethyl]propane-1,3-diamine is sourced from PubChem (CID 106450778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).