N'-[1-(4-tert-butylphenyl)ethenyl]-N-methylethane-1,2-diamine

C15H24N2 — CID 167046499

IUPACN'-[1-(4-tert-butylphenyl)ethenyl]-N-methylethane-1,2-diamine
SMILESC=C(NCCNC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24N2/c1-12(17-11-10-16-5)13-6-8-14(9-7-13)15(2,3)4/h6-9,16-17H,1,10-11H2,2-5H3
InChIKeyNGIWBFPZXDQWOE-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.76
Rot. Bonds5

About N'-[1-(4-tert-butylphenyl)ethenyl]-N-methylethane-1,2-diamine

N'-[1-(4-tert-butylphenyl)ethenyl]-N-methylethane-1,2-diamine (PubChem CID 167046499) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-[1-(4-tert-butylphenyl)ethenyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(4-tert-butylphenyl)ethenyl]-N-methylethane-1,2-diamine
PubChem CID167046499
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN'-[1-(4-tert-butylphenyl)ethenyl]-N-methylethane-1,2-diamine
SMILESC=C(NCCNC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24N2/c1-12(17-11-10-16-5)13-6-8-14(9-7-13)15(2,3)4/h6-9,16-17H,1,10-11H2,2-5H3
InChIKeyNGIWBFPZXDQWOE-UHFFFAOYSA-N
XLogP2.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500998
1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 102332015
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
4-[1-(methylamino)ethenyl]-N-[[[4-[1-(methylamino)ethenyl]benzoyl]amino]methyl]benzamide
CID 59841901
5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride
CID 119501450
ethyl N-[1-(4-tert-butylphenyl)ethenylamino]carbamate
CID 2306545
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
CID 108542009
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108542011
N-[1-(4-phenylphenyl)ethenyl]propan-1-amine
CID 143032131
N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119503351
4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119499870

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-tert-butylphenyl)ethenyl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[1-(4-tert-butylphenyl)ethenyl]-N-methylethane-1,2-diamine (CID 167046499) is N'-[1-(4-tert-butylphenyl)ethenyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(4-tert-butylphenyl)ethenyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[1-(4-tert-butylphenyl)ethenyl]-N-methylethane-1,2-diamine is C=C(NCCNC)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N'-[1-(4-tert-butylphenyl)ethenyl]-N-methylethane-1,2-diamine?
The InChIKey is NGIWBFPZXDQWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(17-11-10-16-5)13-6-8-14(9-7-13)15(2,3)4/h6-9,16-17H,1,10-11H2,2-5H3.
What are the key properties of N'-[1-(4-tert-butylphenyl)ethenyl]-N-methylethane-1,2-diamine?
N'-[1-(4-tert-butylphenyl)ethenyl]-N-methylethane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-tert-butylphenyl)ethenyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 167046499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).