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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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).