N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

C18H30N2 — CID 106040884

IUPACN-(2,2-dimethyl-1,3-dihydroinden-1-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(C)CCCNC1c2ccccc2CC1(C)C
InChIInChI=1S/C18H30N2/c1-14(2)20(5)12-8-11-19-17-16-10-7-6-9-15(16)13-18(17,3)4/h6-7,9-10,14,17,19H,8,11-13H2,1-5H3
InChIKeyPIVRSJHPHRGLLO-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.63
Rot. Bonds6

About N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 106040884) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,3-dihydroinden-1-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID106040884
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-(2,2-dimethyl-1,3-dihydroinden-1-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(C)CCCNC1c2ccccc2CC1(C)C
InChIInChI=1S/C18H30N2/c1-14(2)20(5)12-8-11-19-17-16-10-7-6-9-15(16)13-18(17,3)4/h6-7,9-10,14,17,19H,8,11-13H2,1-5H3
InChIKeyPIVRSJHPHRGLLO-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 106040884) is N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is CC(C)N(C)CCCNC1c2ccccc2CC1(C)C.
What is the InChIKey of N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is PIVRSJHPHRGLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14(2)20(5)12-8-11-19-17-16-10-7-6-9-15(16)13-18(17,3)4/h6-7,9-10,14,17,19H,8,11-13H2,1-5H3.
What are the key properties of N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 106040884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).