N,N-di(propan-2-yl)formamide;N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine

C22H38N2O2 — CID 19028248

IUPACN,N-di(propan-2-yl)formamide;N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
SMILESCC(C)N(C=O)C(C)C.CCCN(CCC)C1COc2ccccc2C1
InChIInChI=1S/C15H23NO.C7H15NO/c1-3-9-16(10-4-2)14-11-13-7-5-6-8-15(13)17-12-14;1-6(2)8(5-9)7(3)4/h5-8,14H,3-4,9-12H2,1-2H3;5-7H,1-4H3
InChIKeyTZODKQOXIILPNX-UHFFFAOYSA-N
MW362.56 g/mol
LogP4.37
Rot. Bonds8

About N,N-di(propan-2-yl)formamide;N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine

N,N-di(propan-2-yl)formamide;N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 19028248) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is N,N-di(propan-2-yl)formamide;N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound NameN,N-di(propan-2-yl)formamide;N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
PubChem CID19028248
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC NameN,N-di(propan-2-yl)formamide;N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
SMILESCC(C)N(C=O)C(C)C.CCCN(CCC)C1COc2ccccc2C1
InChIInChI=1S/C15H23NO.C7H15NO/c1-3-9-16(10-4-2)14-11-13-7-5-6-8-15(13)17-12-14;1-6(2)8(5-9)7(3)4/h5-8,14H,3-4,9-12H2,1-2H3;5-7H,1-4H3
InChIKeyTZODKQOXIILPNX-UHFFFAOYSA-N
XLogP4.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine
CID 129384642
5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 14330491
2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde
CID 142734505
3-pentan-2-yl-3,4-dihydro-2H-chromene
CID 139513640
5-(4-methyl-1,2-oxazol-5-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 18933170
[3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl]-(2-fluorophenyl)methanone
CID 18982031
methyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate
CID 19028093
5-prop-1-en-2-yl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 19028213
[3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl] 2,2-dimethylpropanoate;hydrobromide
CID 14330508
2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]acetic acid
CID 65065076
N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide
CID 53006074
7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
CID 15230497

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)formamide;N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of N,N-di(propan-2-yl)formamide;N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine (CID 19028248) is N,N-di(propan-2-yl)formamide;N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for N,N-di(propan-2-yl)formamide;N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for N,N-di(propan-2-yl)formamide;N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine is CC(C)N(C=O)C(C)C.CCCN(CCC)C1COc2ccccc2C1.
What is the InChIKey of N,N-di(propan-2-yl)formamide;N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is TZODKQOXIILPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.C7H15NO/c1-3-9-16(10-4-2)14-11-13-7-5-6-8-15(13)17-12-14;1-6(2)8(5-9)7(3)4/h5-8,14H,3-4,9-12H2,1-2H3;5-7H,1-4H3.
What are the key properties of N,N-di(propan-2-yl)formamide;N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
N,N-di(propan-2-yl)formamide;N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 362.56 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)formamide;N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 19028248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).