N-[6-(1-aminopropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide

C18H26N2O2 — CID 82174749

IUPACN-[6-(1-aminopropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
SMILESCCC(N)c1ccc2c(c1)C(NC(=O)C1CC1)CC(C)(C)O2
InChIInChI=1S/C18H26N2O2/c1-4-14(19)12-7-8-16-13(9-12)15(10-18(2,3)22-16)20-17(21)11-5-6-11/h7-9,11,14-15H,4-6,10,19H2,1-3H3,(H,20,21)
InChIKeyOOAIWDGWNHCROX-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.22
Rot. Bonds4

About N-[6-(1-aminopropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide

N-[6-(1-aminopropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide (PubChem CID 82174749) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[6-(1-aminopropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(1-aminopropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
PubChem CID82174749
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[6-(1-aminopropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
SMILESCCC(N)c1ccc2c(c1)C(NC(=O)C1CC1)CC(C)(C)O2
InChIInChI=1S/C18H26N2O2/c1-4-14(19)12-7-8-16-13(9-12)15(10-18(2,3)22-16)20-17(21)11-5-6-11/h7-9,11,14-15H,4-6,10,19H2,1-3H3,(H,20,21)
InChIKeyOOAIWDGWNHCROX-UHFFFAOYSA-N
XLogP3.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1-aminopropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(1-aminopropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide (CID 82174749) is N-[6-(1-aminopropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(1-aminopropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(1-aminopropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide is CCC(N)c1ccc2c(c1)C(NC(=O)C1CC1)CC(C)(C)O2.
What is the InChIKey of N-[6-(1-aminopropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide?
The InChIKey is OOAIWDGWNHCROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-14(19)12-7-8-16-13(9-12)15(10-18(2,3)22-16)20-17(21)11-5-6-11/h7-9,11,14-15H,4-6,10,19H2,1-3H3,(H,20,21).
What are the key properties of N-[6-(1-aminopropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide?
N-[6-(1-aminopropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-aminopropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 82174749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).