N',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine

C16H26N2O — CID 82461776

IUPACN',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine
SMILESCc1ccc2c(c1)OC(C)(C)CC2NCCN(C)C
InChIInChI=1S/C16H26N2O/c1-12-6-7-13-14(17-8-9-18(4)5)11-16(2,3)19-15(13)10-12/h6-7,10,14,17H,8-9,11H2,1-5H3
InChIKeySRDJQEPPNWHLSY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.75
Rot. Bonds4

About N',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine (PubChem CID 82461776) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine
PubChem CID82461776
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine
SMILESCc1ccc2c(c1)OC(C)(C)CC2NCCN(C)C
InChIInChI=1S/C16H26N2O/c1-12-6-7-13-14(17-8-9-18(4)5)11-16(2,3)19-15(13)10-12/h6-7,10,14,17H,8-9,11H2,1-5H3
InChIKeySRDJQEPPNWHLSY-UHFFFAOYSA-N
XLogP2.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
CID 82461769
N',N'-dimethyl-N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine
CID 82462666
2,2,7-trimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydrochromen-4-amine
CID 82461781
N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine
CID 81142613
N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine
CID 82462139
3-[[(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)amino]methyl]pyridin-2-amine
CID 131944869
N-(6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82461812
(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
CID 42220633
N-(2-ethyl-2,6-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462158
2-(4-chlorophenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132652521
N-(2-ethyl-2,7,8-trimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82462196
2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride
CID 46736559

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine (CID 82461776) is N',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine is Cc1ccc2c(c1)OC(C)(C)CC2NCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine?
The InChIKey is SRDJQEPPNWHLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-6-7-13-14(17-8-9-18(4)5)11-16(2,3)19-15(13)10-12/h6-7,10,14,17H,8-9,11H2,1-5H3.
What are the key properties of N',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 82461776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).