N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine

C14H24N2 — CID 43136067

IUPACN'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine
SMILESCCC(C)N(CCCN)c1ccc(C)cc1
InChIInChI=1S/C14H24N2/c1-4-13(3)16(11-5-10-15)14-8-6-12(2)7-9-14/h6-9,13H,4-5,10-11,15H2,1-3H3
InChIKeyHTEQKBJKKXEJIZ-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.95
Rot. Bonds6

About N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine

N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine (PubChem CID 43136067) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine
PubChem CID43136067
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine
SMILESCCC(C)N(CCCN)c1ccc(C)cc1
InChIInChI=1S/C14H24N2/c1-4-13(3)16(11-5-10-15)14-8-6-12(2)7-9-14/h6-9,13H,4-5,10-11,15H2,1-3H3
InChIKeyHTEQKBJKKXEJIZ-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(3-aminopropyl)-4-methylanilino]-N-butan-2-ylpropanamide
CID 43318758
4-(1-aminoethyl)-N-butan-2-yl-N-butylaniline
CID 55005473
N'-pentan-2-yl-N'-phenylpropane-1,3-diamine
CID 107895596
N-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide
CID 60859443
N'-(4-methylphenyl)-N'-[2-(2-methylpropoxy)ethyl]propane-1,3-diamine
CID 106450778
4-(aminomethyl)-N-butan-2-yl-N-butyl-3-methylaniline
CID 55038784
4-(2-aminopropyl)-N-butan-2-yl-N-butylaniline
CID 55235076
4-(2-aminobutyl)-N-butan-2-yl-N-butylaniline
CID 63816392
2-[N-(3-aminopropyl)-4-methylanilino]-N-propan-2-ylacetamide
CID 43318743
N'-butan-2-yl-N'-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]propane-1,3-diamine
CID 89180615
4-(aminomethyl)-N-butan-2-yl-N-ethylaniline
CID 43274064
N'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine
CID 43318680

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine (CID 43136067) is N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine is CCC(C)N(CCCN)c1ccc(C)cc1.
What is the InChIKey of N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine?
The InChIKey is HTEQKBJKKXEJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-13(3)16(11-5-10-15)14-8-6-12(2)7-9-14/h6-9,13H,4-5,10-11,15H2,1-3H3.
What are the key properties of N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine?
N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 43136067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).