3-phenylpentan-3-amine;2-phenylpropan-2-amine

C20H30N2 — CID 67930723

IUPAC3-phenylpentan-3-amine;2-phenylpropan-2-amine
SMILESCC(C)(N)c1ccccc1.CCC(N)(CC)c1ccccc1
InChIInChI=1S/C11H17N.C9H13N/c1-3-11(12,4-2)10-8-6-5-7-9-10;1-9(2,10)8-6-4-3-5-7-8/h5-9H,3-4,12H2,1-2H3;3-7H,10H2,1-2H3
InChIKeyWXTMXQOBTWHCCL-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.54
Rot. Bonds4

About 3-phenylpentan-3-amine;2-phenylpropan-2-amine

3-phenylpentan-3-amine;2-phenylpropan-2-amine (PubChem CID 67930723) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 3-phenylpentan-3-amine;2-phenylpropan-2-amine.

Molecular Properties

Compound Name3-phenylpentan-3-amine;2-phenylpropan-2-amine
PubChem CID67930723
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name3-phenylpentan-3-amine;2-phenylpropan-2-amine
SMILESCC(C)(N)c1ccccc1.CCC(N)(CC)c1ccccc1
InChIInChI=1S/C11H17N.C9H13N/c1-3-11(12,4-2)10-8-6-5-7-9-10;1-9(2,10)8-6-4-3-5-7-8/h5-9H,3-4,12H2,1-2H3;3-7H,10H2,1-2H3
InChIKeyWXTMXQOBTWHCCL-UHFFFAOYSA-N
XLogP4.54
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenylhexan-3-amine
CID 60794511
3-(4-tert-butylphenyl)pentan-3-amine
CID 60986945
(3R)-3-amino-3-phenylpentan-1-ol
CID 124509326
phenylmethanamine;2-phenylpropan-2-amine;hydrochloride
CID 174901598
2-phenyl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 63408240
1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine
CID 62619974
1-(4-tert-butylphenyl)-1-phenylpropan-1-amine
CID 63408284
3,3,4,5,5-pentamethylheptan-4-ylbenzene
CID 144815892
(3-ethyl-4,4-dimethylhexan-3-yl)benzene
CID 147184303
2-chlorobutan-2-ylbenzene;ethane
CID 123404536
4-(3-aminopentan-3-yl)phenol
CID 23621887
1,1-diphenylethanamine
CID 12761172

Frequently Asked Questions

What is the IUPAC name of 3-phenylpentan-3-amine;2-phenylpropan-2-amine?
The IUPAC name of 3-phenylpentan-3-amine;2-phenylpropan-2-amine (CID 67930723) is 3-phenylpentan-3-amine;2-phenylpropan-2-amine.
What is the SMILES notation for 3-phenylpentan-3-amine;2-phenylpropan-2-amine?
The canonical SMILES for 3-phenylpentan-3-amine;2-phenylpropan-2-amine is CC(C)(N)c1ccccc1.CCC(N)(CC)c1ccccc1.
What is the InChIKey of 3-phenylpentan-3-amine;2-phenylpropan-2-amine?
The InChIKey is WXTMXQOBTWHCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C9H13N/c1-3-11(12,4-2)10-8-6-5-7-9-10;1-9(2,10)8-6-4-3-5-7-8/h5-9H,3-4,12H2,1-2H3;3-7H,10H2,1-2H3.
What are the key properties of 3-phenylpentan-3-amine;2-phenylpropan-2-amine?
3-phenylpentan-3-amine;2-phenylpropan-2-amine has a molecular weight of 298.47 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpentan-3-amine;2-phenylpropan-2-amine is sourced from PubChem (CID 67930723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).