1-N'-tert-butyl-1-N-[(1R)-1-phenylethyl]ethane-1,1-diamine

C14H24N2 — CID 59070986

IUPAC1-N'-tert-butyl-1-N-[(1R)-1-phenylethyl]ethane-1,1-diamine
SMILESCC(N[C@H](C)c1ccccc1)NC(C)(C)C
InChIInChI=1S/C14H24N2/c1-11(13-9-7-6-8-10-13)15-12(2)16-14(3,4)5/h6-12,15-16H,1-5H3/t11-,12?/m1/s1
InChIKeyOUHWSORREXMELM-JHJMLUEUSA-N
MW220.36 g/mol
LogP3.07
Rot. Bonds4

About 1-N'-tert-butyl-1-N-[(1R)-1-phenylethyl]ethane-1,1-diamine

1-N'-tert-butyl-1-N-[(1R)-1-phenylethyl]ethane-1,1-diamine (PubChem CID 59070986) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-N'-tert-butyl-1-N-[(1R)-1-phenylethyl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-tert-butyl-1-N-[(1R)-1-phenylethyl]ethane-1,1-diamine
PubChem CID59070986
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-N'-tert-butyl-1-N-[(1R)-1-phenylethyl]ethane-1,1-diamine
SMILESCC(N[C@H](C)c1ccccc1)NC(C)(C)C
InChIInChI=1S/C14H24N2/c1-11(13-9-7-6-8-10-13)15-12(2)16-14(3,4)5/h6-12,15-16H,1-5H3/t11-,12?/m1/s1
InChIKeyOUHWSORREXMELM-JHJMLUEUSA-N
XLogP3.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
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

1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989
N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride
CID 22831491
N-(1,1-diphenylpropan-2-yl)-2-methylpropan-2-amine
CID 14902890
(2S)-3,3-dimethyl-2-[[(1R)-1-phenylethyl]amino]butanenitrile
CID 101095411
4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine
CID 81351575
(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 59906761
4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine
CID 81351069
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
(tert-butylamino)-phenylmethanol;ethane
CID 143300021
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568

Frequently Asked Questions

What is the IUPAC name of 1-N'-tert-butyl-1-N-[(1R)-1-phenylethyl]ethane-1,1-diamine?
The IUPAC name of 1-N'-tert-butyl-1-N-[(1R)-1-phenylethyl]ethane-1,1-diamine (CID 59070986) is 1-N'-tert-butyl-1-N-[(1R)-1-phenylethyl]ethane-1,1-diamine.
What is the SMILES notation for 1-N'-tert-butyl-1-N-[(1R)-1-phenylethyl]ethane-1,1-diamine?
The canonical SMILES for 1-N'-tert-butyl-1-N-[(1R)-1-phenylethyl]ethane-1,1-diamine is CC(N[C@H](C)c1ccccc1)NC(C)(C)C.
What is the InChIKey of 1-N'-tert-butyl-1-N-[(1R)-1-phenylethyl]ethane-1,1-diamine?
The InChIKey is OUHWSORREXMELM-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(13-9-7-6-8-10-13)15-12(2)16-14(3,4)5/h6-12,15-16H,1-5H3/t11-,12?/m1/s1.
What are the key properties of 1-N'-tert-butyl-1-N-[(1R)-1-phenylethyl]ethane-1,1-diamine?
1-N'-tert-butyl-1-N-[(1R)-1-phenylethyl]ethane-1,1-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-tert-butyl-1-N-[(1R)-1-phenylethyl]ethane-1,1-diamine is sourced from PubChem (CID 59070986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).