N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine

C18H30N2O — CID 103787781

IUPACN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C18H30N2O/c1-5-12-20(6-2)13-11-19-16-14-18(3,4)21-17-10-8-7-9-15(16)17/h7-10,16,19H,5-6,11-14H2,1-4H3
InChIKeyKHYULKKIHUUAJX-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.61
Rot. Bonds7

About N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine (PubChem CID 103787781) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
PubChem CID103787781
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C18H30N2O/c1-5-12-20(6-2)13-11-19-16-14-18(3,4)21-17-10-8-7-9-15(16)17/h7-10,16,19H,5-6,11-14H2,1-4H3
InChIKeyKHYULKKIHUUAJX-UHFFFAOYSA-N
XLogP3.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine
CID 81142613
N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115704436
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776946
N',N'-diethyl-N-(2,2,7,8-tetramethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine
CID 82461834
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-propylacetamide
CID 81137654
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide
CID 115712626
methyl 3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propanoate
CID 81137020
N-(2-imidazol-1-ylethyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81136589
2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 104629206
2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol
CID 115697977
3-[2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 103781968
2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine
CID 81137015

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine (CID 103787781) is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine is CCCN(CC)CCNC1CC(C)(C)Oc2ccccc21.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
The InChIKey is KHYULKKIHUUAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-12-20(6-2)13-11-19-16-14-18(3,4)21-17-10-8-7-9-15(16)17/h7-10,16,19H,5-6,11-14H2,1-4H3.
What are the key properties of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 103787781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).