N-(6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine

C18H30N2O — CID 82461812

IUPACN-(6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCCc1ccc2c(c1)C(NCCCN(C)C)CC(C)(C)O2
InChIInChI=1S/C18H30N2O/c1-6-14-8-9-17-15(12-14)16(13-18(2,3)21-17)19-10-7-11-20(4)5/h8-9,12,16,19H,6-7,10-11,13H2,1-5H3
InChIKeyRQDNTBIYNJNJLE-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.39
Rot. Bonds6

About N-(6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine

N-(6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 82461812) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID82461812
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCCc1ccc2c(c1)C(NCCCN(C)C)CC(C)(C)O2
InChIInChI=1S/C18H30N2O/c1-6-14-8-9-17-15(12-14)16(13-18(2,3)21-17)19-10-7-11-20(4)5/h8-9,12,16,19H,6-7,10-11,13H2,1-5H3
InChIKeyRQDNTBIYNJNJLE-UHFFFAOYSA-N
XLogP3.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-2,6-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462158
N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462120
(4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 42220642
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776946
N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine
CID 82461986
N',N'-dimethyl-N-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine
CID 82462678
6-butyl-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 115492942
N',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine
CID 82461776
6-ethoxy-N-hexyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82461979
N-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462731
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
(2R,3S)-3-amino-1-[[(4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl]amino]-4-phenylbutan-2-ol
CID 66844733

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine (CID 82461812) is N-(6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine is CCc1ccc2c(c1)C(NCCCN(C)C)CC(C)(C)O2.
What is the InChIKey of N-(6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is RQDNTBIYNJNJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-14-8-9-17-15(12-14)16(13-18(2,3)21-17)19-10-7-11-20(4)5/h8-9,12,16,19H,6-7,10-11,13H2,1-5H3.
What are the key properties of N-(6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 82461812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).