N-(1-cyclopropylbutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine

C18H27N — CID 82815193

IUPACN-(1-cyclopropylbutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCCC(CC1CC1)NC1c2ccccc2CC1(C)C
InChIInChI=1S/C18H27N/c1-4-15(11-13-9-10-13)19-17-16-8-6-5-7-14(16)12-18(17,2)3/h5-8,13,15,17,19H,4,9-12H2,1-3H3
InChIKeyGLPWZEKPBUHUAG-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.48
Rot. Bonds5

About N-(1-cyclopropylbutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine

N-(1-cyclopropylbutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 82815193) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID82815193
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-(1-cyclopropylbutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCCC(CC1CC1)NC1c2ccccc2CC1(C)C
InChIInChI=1S/C18H27N/c1-4-15(11-13-9-10-13)19-17-16-8-6-5-7-14(16)12-18(17,2)3/h5-8,13,15,17,19H,4,9-12H2,1-3H3
InChIKeyGLPWZEKPBUHUAG-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 82815193) is N-(1-cyclopropylbutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine is CCC(CC1CC1)NC1c2ccccc2CC1(C)C.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is GLPWZEKPBUHUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-4-15(11-13-9-10-13)19-17-16-8-6-5-7-14(16)12-18(17,2)3/h5-8,13,15,17,19H,4,9-12H2,1-3H3.
What are the key properties of N-(1-cyclopropylbutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
N-(1-cyclopropylbutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 82815193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).