N,N,N',N'-tetratert-butyl-1-phenylmethanediamine

C23H42N2 — CID 132599756

IUPACN,N,N',N'-tetratert-butyl-1-phenylmethanediamine
SMILESCC(C)(C)N(C(c1ccccc1)N(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H42N2/c1-20(2,3)24(21(4,5)6)19(18-16-14-13-15-17-18)25(22(7,8)9)23(10,11)12/h13-17,19H,1-12H3
InChIKeyLNKMMDVLHHEZNE-UHFFFAOYSA-N
MW346.60 g/mol
LogP6.48
Rot. Bonds3

About N,N,N',N'-tetratert-butyl-1-phenylmethanediamine

N,N,N',N'-tetratert-butyl-1-phenylmethanediamine (PubChem CID 132599756) has the molecular formula C23H42N2 and a molecular weight of 346.60 g/mol. Its IUPAC name is N,N,N',N'-tetratert-butyl-1-phenylmethanediamine.

Molecular Properties

Compound NameN,N,N',N'-tetratert-butyl-1-phenylmethanediamine
PubChem CID132599756
Molecular FormulaC23H42N2
Molecular Weight346.60 g/mol
Exact Mass346.33
IUPAC NameN,N,N',N'-tetratert-butyl-1-phenylmethanediamine
SMILESCC(C)(C)N(C(c1ccccc1)N(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H42N2/c1-20(2,3)24(21(4,5)6)19(18-16-14-13-15-17-18)25(22(7,8)9)23(10,11)12/h13-17,19H,1-12H3
InChIKeyLNKMMDVLHHEZNE-UHFFFAOYSA-N
XLogP6.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 102355634
CID 102355634
[dimethylamino(phenyl)methyl]-oxosulfanium
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(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
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N-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;methane
CID 158212954
tetrakis((2,2-dimethyl-1-phenylpropoxy)-dihydroxyphosphanium);nickel
CID 88804753
2-methoxy-2-methyl-1-phenylpropan-1-amine
CID 76606196
CID 100998329
CID 100998329
2-[bromo(triphenyl)-λ5-phosphanyl]-2-methyl-1-phenylpropan-1-ol
CID 134976890
(2-bromo-1-fluoro-2-methylpropyl)benzene
CID 15668390
2-methylpropan-2-ol;1-phenylethanol
CID 160949043
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetratert-butyl-1-phenylmethanediamine?
The IUPAC name of N,N,N',N'-tetratert-butyl-1-phenylmethanediamine (CID 132599756) is N,N,N',N'-tetratert-butyl-1-phenylmethanediamine.
What is the SMILES notation for N,N,N',N'-tetratert-butyl-1-phenylmethanediamine?
The canonical SMILES for N,N,N',N'-tetratert-butyl-1-phenylmethanediamine is CC(C)(C)N(C(c1ccccc1)N(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N,N,N',N'-tetratert-butyl-1-phenylmethanediamine?
The InChIKey is LNKMMDVLHHEZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2/c1-20(2,3)24(21(4,5)6)19(18-16-14-13-15-17-18)25(22(7,8)9)23(10,11)12/h13-17,19H,1-12H3.
What are the key properties of N,N,N',N'-tetratert-butyl-1-phenylmethanediamine?
N,N,N',N'-tetratert-butyl-1-phenylmethanediamine has a molecular weight of 346.60 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetratert-butyl-1-phenylmethanediamine is sourced from PubChem (CID 132599756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).