N-(2-methylpropyl)-N-pentan-3-yl-4-(propylaminomethyl)aniline

C19H34N2 — CID 79491395

IUPACN-(2-methylpropyl)-N-pentan-3-yl-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(CC(C)C)C(CC)CC)cc1
InChIInChI=1S/C19H34N2/c1-6-13-20-14-17-9-11-19(12-10-17)21(15-16(4)5)18(7-2)8-3/h9-12,16,18,20H,6-8,13-15H2,1-5H3
InChIKeyJNJXZXMYLACNHW-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.84
Rot. Bonds10

About N-(2-methylpropyl)-N-pentan-3-yl-4-(propylaminomethyl)aniline

N-(2-methylpropyl)-N-pentan-3-yl-4-(propylaminomethyl)aniline (PubChem CID 79491395) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-pentan-3-yl-4-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-pentan-3-yl-4-(propylaminomethyl)aniline
PubChem CID79491395
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN-(2-methylpropyl)-N-pentan-3-yl-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(CC(C)C)C(CC)CC)cc1
InChIInChI=1S/C19H34N2/c1-6-13-20-14-17-9-11-19(12-10-17)21(15-16(4)5)18(7-2)8-3/h9-12,16,18,20H,6-8,13-15H2,1-5H3
InChIKeyJNJXZXMYLACNHW-UHFFFAOYSA-N
XLogP4.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'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-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline
CID 43281999
N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 63888318
3-[N-propan-2-yl-4-(propylaminomethyl)anilino]propan-1-ol
CID 54994250
N-methyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline
CID 43570390
N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79490766
5-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
CID 79492000
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281928
1-[5-[2-methylpropyl(pentan-3-yl)amino]-2-pyridinyl]ethanol
CID 83131569
N,3-dimethyl-N-[[4-(propylaminomethyl)phenyl]methyl]butan-2-amine
CID 62434485
N-[[4-(chloromethyl)phenyl]methyl]propan-1-amine
CID 107232944

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-pentan-3-yl-4-(propylaminomethyl)aniline?
The IUPAC name of N-(2-methylpropyl)-N-pentan-3-yl-4-(propylaminomethyl)aniline (CID 79491395) is N-(2-methylpropyl)-N-pentan-3-yl-4-(propylaminomethyl)aniline.
What is the SMILES notation for N-(2-methylpropyl)-N-pentan-3-yl-4-(propylaminomethyl)aniline?
The canonical SMILES for N-(2-methylpropyl)-N-pentan-3-yl-4-(propylaminomethyl)aniline is CCCNCc1ccc(N(CC(C)C)C(CC)CC)cc1.
What is the InChIKey of N-(2-methylpropyl)-N-pentan-3-yl-4-(propylaminomethyl)aniline?
The InChIKey is JNJXZXMYLACNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-13-20-14-17-9-11-19(12-10-17)21(15-16(4)5)18(7-2)8-3/h9-12,16,18,20H,6-8,13-15H2,1-5H3.
What are the key properties of N-(2-methylpropyl)-N-pentan-3-yl-4-(propylaminomethyl)aniline?
N-(2-methylpropyl)-N-pentan-3-yl-4-(propylaminomethyl)aniline has a molecular weight of 290.50 g/mol, XLogP of 4.84, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-pentan-3-yl-4-(propylaminomethyl)aniline is sourced from PubChem (CID 79491395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).