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

C18H24N2 — CID 59070989

IUPAC1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
SMILESCC(N[C@H](C)c1ccccc1)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H24N2/c1-14(17-10-6-4-7-11-17)19-16(3)20-15(2)18-12-8-5-9-13-18/h4-16,19-20H,1-3H3/t14-,15-/m1/s1
InChIKeyKUKQXAQSKWYDDR-HUUCEWRRSA-N
MW268.40 g/mol
LogP4.03
Rot. Bonds6

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

1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine (PubChem CID 59070989) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
PubChem CID59070989
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
SMILESCC(N[C@H](C)c1ccccc1)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H24N2/c1-14(17-10-6-4-7-11-17)19-16(3)20-15(2)18-12-8-5-9-13-18/h4-16,19-20H,1-3H3/t14-,15-/m1/s1
InChIKeyKUKQXAQSKWYDDR-HUUCEWRRSA-N
XLogP4.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.03
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'-tert-butyl-1-N-[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070986
N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride
CID 22831491
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride
CID 22831493
ethane;N-methyl-1-phenylethanamine
CID 91444453
1,1-dimethoxy-N-[(1R)-1-phenylethyl]propan-2-amine
CID 81351773
5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine
CID 81350765
1-hydroxy-3-[(1R)-1-phenylethyl]urea
CID 50905877
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987
3-ethyl-N-(1-phenylethyl)pentan-2-amine
CID 63843790

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine (CID 59070989) is 1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine is CC(N[C@H](C)c1ccccc1)N[C@H](C)c1ccccc1.
What is the InChIKey of 1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine?
The InChIKey is KUKQXAQSKWYDDR-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H24N2/c1-14(17-10-6-4-7-11-17)19-16(3)20-15(2)18-12-8-5-9-13-18/h4-16,19-20H,1-3H3/t14-,15-/m1/s1.
What are the key properties of 1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine?
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine has a molecular weight of 268.40 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine is sourced from PubChem (CID 59070989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).