N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine

C17H26N2O — CID 81142613

IUPACN'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CC(C)(C)Oc2ccccc21)C1CC1
InChIInChI=1S/C17H26N2O/c1-17(2)12-15(14-6-4-5-7-16(14)20-17)18-10-11-19(3)13-8-9-13/h4-7,13,15,18H,8-12H2,1-3H3
InChIKeyXHXHVHNFKANKBP-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.97
Rot. Bonds5

About N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine

N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine (PubChem CID 81142613) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine
PubChem CID81142613
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CC(C)(C)Oc2ccccc21)C1CC1
InChIInChI=1S/C17H26N2O/c1-17(2)12-15(14-6-4-5-7-16(14)20-17)18-10-11-19(3)13-8-9-13/h4-7,13,15,18H,8-12H2,1-3H3
InChIKeyXHXHVHNFKANKBP-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine (CID 81142613) is N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine is CN(CCNC1CC(C)(C)Oc2ccccc21)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine?
The InChIKey is XHXHVHNFKANKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2)12-15(14-6-4-5-7-16(14)20-17)18-10-11-19(3)13-8-9-13/h4-7,13,15,18H,8-12H2,1-3H3.
What are the key properties of N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine?
N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine has a molecular weight of 274.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 81142613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).