N,7-dimethyl-3-methylidene-7-phenyloctan-1-amine;propane

C20H35N — CID 142053880

IUPACN,7-dimethyl-3-methylidene-7-phenyloctan-1-amine;propane
SMILESC=C(CCCC(C)(C)c1ccccc1)CCNC.CCC
InChIInChI=1S/C17H27N.C3H8/c1-15(12-14-18-4)9-8-13-17(2,3)16-10-6-5-7-11-16;1-3-2/h5-7,10-11,18H,1,8-9,12-14H2,2-4H3;3H2,1-2H3
InChIKeyRYSPLCIZZWAJGJ-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.72
Rot. Bonds8

About N,7-dimethyl-3-methylidene-7-phenyloctan-1-amine;propane

N,7-dimethyl-3-methylidene-7-phenyloctan-1-amine;propane (PubChem CID 142053880) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N,7-dimethyl-3-methylidene-7-phenyloctan-1-amine;propane.

Molecular Properties

Compound NameN,7-dimethyl-3-methylidene-7-phenyloctan-1-amine;propane
PubChem CID142053880
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN,7-dimethyl-3-methylidene-7-phenyloctan-1-amine;propane
SMILESC=C(CCCC(C)(C)c1ccccc1)CCNC.CCC
InChIInChI=1S/C17H27N.C3H8/c1-15(12-14-18-4)9-8-13-17(2,3)16-10-6-5-7-11-16;1-3-2/h5-7,10-11,18H,1,8-9,12-14H2,2-4H3;3H2,1-2H3
InChIKeyRYSPLCIZZWAJGJ-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-3-phenylbutan-1-amine
CID 62966813
3-fluoro-N-methyl-3-phenylbutan-1-amine
CID 105439612
hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;6-methyl-6-phenylheptan-2-one
CID 161010051
(2-methyl-6-phenylhexan-2-yl)benzene
CID 57113008
[2-methyl-7-(6-methyl-6-phenylheptyl)sulfanylheptan-2-yl]benzene
CID 143079939
N-(2-methyl-2-phenylpropyl)nonan-1-amine
CID 63491686
N-(2-methyl-2-phenylpropyl)hexan-1-amine
CID 63451792
2,2,2-trifluoro-N-(4-methyl-6-methylidene-4-phenyldodecyl)acetamide
CID 162407872
4-methyl-N-[2-(methylsulfamoyl)ethyl]-4-phenylpentanamide
CID 110354804
(5-heptoxy-2-methylpentan-2-yl)benzene
CID 143912410
3-[methyl-[2-(methylamino)ethyl]amino]-1,1-diphenylpropan-1-ol;dihydrochloride
CID 70578560
[2-methyl-4-(3-methyl-3-phenylbutoxy)butan-2-yl]benzene
CID 70593938

Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-3-methylidene-7-phenyloctan-1-amine;propane?
The IUPAC name of N,7-dimethyl-3-methylidene-7-phenyloctan-1-amine;propane (CID 142053880) is N,7-dimethyl-3-methylidene-7-phenyloctan-1-amine;propane.
What is the SMILES notation for N,7-dimethyl-3-methylidene-7-phenyloctan-1-amine;propane?
The canonical SMILES for N,7-dimethyl-3-methylidene-7-phenyloctan-1-amine;propane is C=C(CCCC(C)(C)c1ccccc1)CCNC.CCC.
What is the InChIKey of N,7-dimethyl-3-methylidene-7-phenyloctan-1-amine;propane?
The InChIKey is RYSPLCIZZWAJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N.C3H8/c1-15(12-14-18-4)9-8-13-17(2,3)16-10-6-5-7-11-16;1-3-2/h5-7,10-11,18H,1,8-9,12-14H2,2-4H3;3H2,1-2H3.
What are the key properties of N,7-dimethyl-3-methylidene-7-phenyloctan-1-amine;propane?
N,7-dimethyl-3-methylidene-7-phenyloctan-1-amine;propane has a molecular weight of 289.51 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-3-methylidene-7-phenyloctan-1-amine;propane is sourced from PubChem (CID 142053880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).