2,6-diamino-2,6-dimethyl-5-phenylheptan-3-ol;methane

C16H30N2O — CID 159372563

IUPAC2,6-diamino-2,6-dimethyl-5-phenylheptan-3-ol;methane
SMILESC.CC(C)(N)C(O)CC(c1ccccc1)C(C)(C)N
InChIInChI=1S/C15H26N2O.CH4/c1-14(2,16)12(10-13(18)15(3,4)17)11-8-6-5-7-9-11;/h5-9,12-13,18H,10,16-17H2,1-4H3;1H4
InChIKeyLJXPYNGPPWFQFQ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.63
Rot. Bonds5

About 2,6-diamino-2,6-dimethyl-5-phenylheptan-3-ol;methane

2,6-diamino-2,6-dimethyl-5-phenylheptan-3-ol;methane (PubChem CID 159372563) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2,6-diamino-2,6-dimethyl-5-phenylheptan-3-ol;methane.

Molecular Properties

Compound Name2,6-diamino-2,6-dimethyl-5-phenylheptan-3-ol;methane
PubChem CID159372563
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2,6-diamino-2,6-dimethyl-5-phenylheptan-3-ol;methane
SMILESC.CC(C)(N)C(O)CC(c1ccccc1)C(C)(C)N
InChIInChI=1S/C15H26N2O.CH4/c1-14(2,16)12(10-13(18)15(3,4)17)11-8-6-5-7-9-11;/h5-9,12-13,18H,10,16-17H2,1-4H3;1H4
InChIKeyLJXPYNGPPWFQFQ-UHFFFAOYSA-N
XLogP2.63
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-amino-2-methyl-1-phenylpropan-1-ol
CID 38988546
4,4-dimethyl-1-phenylpentane-1,3-diol
CID 14869149
2,2,5-trimethylhexan-3-ylbenzene
CID 18669937
4,4-dimethyl-3-phenylpentanamide
CID 82077159
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
3-amino-3-methyl-1-phenylmethoxybutan-2-ol
CID 67509552
2-amino-3-phenylbutan-2-ol
CID 68615274
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
ethyl 2-methylprop-2-enoate;2-methyl-3-phenylhexan-2-amine
CID 142295239
3,3-dimethyl-4-phenylbutane-1,2,4-triol
CID 132576079

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-2,6-dimethyl-5-phenylheptan-3-ol;methane?
The IUPAC name of 2,6-diamino-2,6-dimethyl-5-phenylheptan-3-ol;methane (CID 159372563) is 2,6-diamino-2,6-dimethyl-5-phenylheptan-3-ol;methane.
What is the SMILES notation for 2,6-diamino-2,6-dimethyl-5-phenylheptan-3-ol;methane?
The canonical SMILES for 2,6-diamino-2,6-dimethyl-5-phenylheptan-3-ol;methane is C.CC(C)(N)C(O)CC(c1ccccc1)C(C)(C)N.
What is the InChIKey of 2,6-diamino-2,6-dimethyl-5-phenylheptan-3-ol;methane?
The InChIKey is LJXPYNGPPWFQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O.CH4/c1-14(2,16)12(10-13(18)15(3,4)17)11-8-6-5-7-9-11;/h5-9,12-13,18H,10,16-17H2,1-4H3;1H4.
What are the key properties of 2,6-diamino-2,6-dimethyl-5-phenylheptan-3-ol;methane?
2,6-diamino-2,6-dimethyl-5-phenylheptan-3-ol;methane has a molecular weight of 266.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-2,6-dimethyl-5-phenylheptan-3-ol;methane is sourced from PubChem (CID 159372563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).