N-tert-butyl-N-(2,2-dimethylpropyl)-1,10-phenanthrolin-5-amine

C21H27N3 — CID 129101866

IUPACN-tert-butyl-N-(2,2-dimethylpropyl)-1,10-phenanthrolin-5-amine
SMILESCC(C)(C)CN(c1cc2cccnc2c2ncccc12)C(C)(C)C
InChIInChI=1S/C21H27N3/c1-20(2,3)14-24(21(4,5)6)17-13-15-9-7-11-22-18(15)19-16(17)10-8-12-23-19/h7-13H,14H2,1-6H3
InChIKeySVVGGXHWTCJSFF-UHFFFAOYSA-N
MW321.47 g/mol
LogP5.43
Rot. Bonds2

About N-tert-butyl-N-(2,2-dimethylpropyl)-1,10-phenanthrolin-5-amine

N-tert-butyl-N-(2,2-dimethylpropyl)-1,10-phenanthrolin-5-amine (PubChem CID 129101866) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-tert-butyl-N-(2,2-dimethylpropyl)-1,10-phenanthrolin-5-amine.

Molecular Properties

Compound NameN-tert-butyl-N-(2,2-dimethylpropyl)-1,10-phenanthrolin-5-amine
PubChem CID129101866
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC NameN-tert-butyl-N-(2,2-dimethylpropyl)-1,10-phenanthrolin-5-amine
SMILESCC(C)(C)CN(c1cc2cccnc2c2ncccc12)C(C)(C)C
InChIInChI=1S/C21H27N3/c1-20(2,3)14-24(21(4,5)6)17-13-15-9-7-11-22-18(15)19-16(17)10-8-12-23-19/h7-13H,14H2,1-6H3
InChIKeySVVGGXHWTCJSFF-UHFFFAOYSA-N
XLogP5.43
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.47
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-[4-[3,5-bis[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 121460993
5-(2,4-ditert-butyl-3-ethylphenyl)-1,10-phenanthroline
CID 142526098
iron;tris(1,10-phenanthrolin-5-amine)
CID 67973166
12,25-ditert-butyl-8,21-diazaheptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene
CID 132549358
1-(1,10-phenanthrolin-5-yl)propan-2-one
CID 57096123
4,10,13,19,23,29,32,38-octazanonacyclo[20.16.0.03,20.05,18.06,11.012,17.024,37.025,30.031,36]octatriaconta-1(22),2,4,6(11),7,9,12(17),13,15,18,20,23,25(30),26,28,31(36),32,34,37-nonadecaene;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrachloride
CID 71762373
5-ethynyl-1,10-phenanthroline
CID 10703368
naphtho[2,3-f][1,10]phenanthroline
CID 15381524
N-[[6-[(1,10-phenanthrolin-5-ylamino)methyl]-2-pyridinyl]methyl]-1,10-phenanthrolin-5-amine
CID 132513904
5-[bis(1,10-phenanthrolin-5-yl)phosphoryl]-1,10-phenanthroline
CID 88535892
2-(1,10-phenanthrolin-5-yloxy)ethanamine
CID 59008923
diiodo(dimethyl)stannane;1,10-phenanthroline
CID 4611650

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(2,2-dimethylpropyl)-1,10-phenanthrolin-5-amine?
The IUPAC name of N-tert-butyl-N-(2,2-dimethylpropyl)-1,10-phenanthrolin-5-amine (CID 129101866) is N-tert-butyl-N-(2,2-dimethylpropyl)-1,10-phenanthrolin-5-amine.
What is the SMILES notation for N-tert-butyl-N-(2,2-dimethylpropyl)-1,10-phenanthrolin-5-amine?
The canonical SMILES for N-tert-butyl-N-(2,2-dimethylpropyl)-1,10-phenanthrolin-5-amine is CC(C)(C)CN(c1cc2cccnc2c2ncccc12)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(2,2-dimethylpropyl)-1,10-phenanthrolin-5-amine?
The InChIKey is SVVGGXHWTCJSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3/c1-20(2,3)14-24(21(4,5)6)17-13-15-9-7-11-22-18(15)19-16(17)10-8-12-23-19/h7-13H,14H2,1-6H3.
What are the key properties of N-tert-butyl-N-(2,2-dimethylpropyl)-1,10-phenanthrolin-5-amine?
N-tert-butyl-N-(2,2-dimethylpropyl)-1,10-phenanthrolin-5-amine has a molecular weight of 321.47 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(2,2-dimethylpropyl)-1,10-phenanthrolin-5-amine is sourced from PubChem (CID 129101866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).