(3S)-3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine

C15H24N2O — CID 129384642

IUPAC(3S)-3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine
SMILESCCCN(CCC)[C@@H]1COc2c(N)cccc2C1
InChIInChI=1S/C15H24N2O/c1-3-8-17(9-4-2)13-10-12-6-5-7-14(16)15(12)18-11-13/h5-7,13H,3-4,8-11,16H2,1-2H3/t13-/m0/s1
InChIKeyLEDVDXFVQMJGLT-ZDUSSCGKSA-N
MW248.37 g/mol
LogP2.69
Rot. Bonds5

About (3S)-3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine

(3S)-3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine (PubChem CID 129384642) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (3S)-3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine.

Molecular Properties

Compound Name(3S)-3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine
PubChem CID129384642
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(3S)-3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine
SMILESCCCN(CCC)[C@@H]1COc2c(N)cccc2C1
InChIInChI=1S/C15H24N2O/c1-3-8-17(9-4-2)13-10-12-6-5-7-14(16)15(12)18-11-13/h5-7,13H,3-4,8-11,16H2,1-2H3/t13-/m0/s1
InChIKeyLEDVDXFVQMJGLT-ZDUSSCGKSA-N
XLogP2.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N,3-N-dimethyl-3,4-dihydro-2H-chromene-3,8-diamine
CID 105446305
(3R)-8-(4-methoxyphenyl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 11151958
(3S)-N,N-dibutyl-8-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 129411882
(6R)-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
CID 18650733
3-(methoxymethyl)-3,4-dihydro-2H-chromen-8-amine
CID 105447073
6-N-ethyl-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine
CID 14836516
N,N-di(propan-2-yl)formamide;N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 19028248
3-piperidin-1-yl-3,4-dihydro-2H-chromen-8-amine
CID 105491696
3-(dipropylamino)-8-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile
CID 69366717
5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 14330491
5-prop-1-en-2-yl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 19028213
2-N,2-N-dipropyl-2,3-dihydro-1H-indene-2,5-diamine
CID 10537561

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine?
The IUPAC name of (3S)-3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine (CID 129384642) is (3S)-3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine.
What is the SMILES notation for (3S)-3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine?
The canonical SMILES for (3S)-3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine is CCCN(CCC)[C@@H]1COc2c(N)cccc2C1.
What is the InChIKey of (3S)-3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine?
The InChIKey is LEDVDXFVQMJGLT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-8-17(9-4-2)13-10-12-6-5-7-14(16)15(12)18-11-13/h5-7,13H,3-4,8-11,16H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine?
(3S)-3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine is sourced from PubChem (CID 129384642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).