N'-cyclopropyl-N-[2-methyl-2-(2-methylphenyl)propyl]ethane-1,2-diamine

C16H26N2 — CID 115207185

IUPACN'-cyclopropyl-N-[2-methyl-2-(2-methylphenyl)propyl]ethane-1,2-diamine
SMILESCc1ccccc1C(C)(C)CNCCNC1CC1
InChIInChI=1S/C16H26N2/c1-13-6-4-5-7-15(13)16(2,3)12-17-10-11-18-14-8-9-14/h4-7,14,17-18H,8-12H2,1-3H3
InChIKeyHLFOYLAFAREZDR-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.61
Rot. Bonds7

About N'-cyclopropyl-N-[2-methyl-2-(2-methylphenyl)propyl]ethane-1,2-diamine

N'-cyclopropyl-N-[2-methyl-2-(2-methylphenyl)propyl]ethane-1,2-diamine (PubChem CID 115207185) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-cyclopropyl-N-[2-methyl-2-(2-methylphenyl)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-[2-methyl-2-(2-methylphenyl)propyl]ethane-1,2-diamine
PubChem CID115207185
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-cyclopropyl-N-[2-methyl-2-(2-methylphenyl)propyl]ethane-1,2-diamine
SMILESCc1ccccc1C(C)(C)CNCCNC1CC1
InChIInChI=1S/C16H26N2/c1-13-6-4-5-7-15(13)16(2,3)12-17-10-11-18-14-8-9-14/h4-7,14,17-18H,8-12H2,1-3H3
InChIKeyHLFOYLAFAREZDR-UHFFFAOYSA-N
XLogP2.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.61
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

N-[2-methyl-2-(2-methylphenyl)propyl]cyclopropanamine
CID 62595487
N'-cyclopropyl-N-[2-(2-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 115207193
N-[2-methyl-2-(2-methylphenyl)propyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206673
N-[2-methyl-2-(2-methylphenyl)propyl]piperidin-4-amine
CID 115118569
N-(3-chloropropyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115216039
N-(bromomethyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115262622
N'-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 115207173
2-methyl-2-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62596032
4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 78911515
N-butan-2-yl-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115715576
3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol
CID 115122512
N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide
CID 62663478

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[2-methyl-2-(2-methylphenyl)propyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-[2-methyl-2-(2-methylphenyl)propyl]ethane-1,2-diamine (CID 115207185) is N'-cyclopropyl-N-[2-methyl-2-(2-methylphenyl)propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-[2-methyl-2-(2-methylphenyl)propyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-[2-methyl-2-(2-methylphenyl)propyl]ethane-1,2-diamine is Cc1ccccc1C(C)(C)CNCCNC1CC1.
What is the InChIKey of N'-cyclopropyl-N-[2-methyl-2-(2-methylphenyl)propyl]ethane-1,2-diamine?
The InChIKey is HLFOYLAFAREZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-6-4-5-7-15(13)16(2,3)12-17-10-11-18-14-8-9-14/h4-7,14,17-18H,8-12H2,1-3H3.
What are the key properties of N'-cyclopropyl-N-[2-methyl-2-(2-methylphenyl)propyl]ethane-1,2-diamine?
N'-cyclopropyl-N-[2-methyl-2-(2-methylphenyl)propyl]ethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[2-methyl-2-(2-methylphenyl)propyl]ethane-1,2-diamine is sourced from PubChem (CID 115207185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).