N-[[5-(diethylaminomethyl)-3,3-dimethylcyclohepta-1,4,6-trien-1-yl]methyl]-N-ethylethanamine

C19H34N2 — CID 575161

IUPACN-[[5-(diethylaminomethyl)-3,3-dimethylcyclohepta-1,4,6-trien-1-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1=CC(C)(C)C=C(CN(CC)CC)C=C1
InChIInChI=1S/C19H34N2/c1-7-20(8-2)15-17-11-12-18(14-19(5,6)13-17)16-21(9-3)10-4/h11-14H,7-10,15-16H2,1-6H3
InChIKeyCGAFRSAQKKVOFJ-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.12
Rot. Bonds8

About N-[[5-(diethylaminomethyl)-3,3-dimethylcyclohepta-1,4,6-trien-1-yl]methyl]-N-ethylethanamine

N-[[5-(diethylaminomethyl)-3,3-dimethylcyclohepta-1,4,6-trien-1-yl]methyl]-N-ethylethanamine (PubChem CID 575161) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N-[[5-(diethylaminomethyl)-3,3-dimethylcyclohepta-1,4,6-trien-1-yl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[5-(diethylaminomethyl)-3,3-dimethylcyclohepta-1,4,6-trien-1-yl]methyl]-N-ethylethanamine
PubChem CID575161
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN-[[5-(diethylaminomethyl)-3,3-dimethylcyclohepta-1,4,6-trien-1-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1=CC(C)(C)C=C(CN(CC)CC)C=C1
InChIInChI=1S/C19H34N2/c1-7-20(8-2)15-17-11-12-18(14-19(5,6)13-17)16-21(9-3)10-4/h11-14H,7-10,15-16H2,1-6H3
InChIKeyCGAFRSAQKKVOFJ-UHFFFAOYSA-N
XLogP4.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,5-Cycloheptatriene, 2,4-bis(diethylaminomethyl)-7,7-dimethyl-
CID 559793
3,5-Ditert-butyl-1-[3-(3,5-ditert-butyl-2,7-dihydroazepin-1-yl)propyl]-2,7-dihydroazepine
CID 10813618
(2E)-N,N-diethyl-4-methylpenta-2,4-dien-1-amine
CID 13023821
1-Butyl-3,4-ditert-butyl-2,7-dihydroazepine
CID 20871973
chromium(2+);bis(N-(phenylmethyl)-N-propylpropan-1-amine)
CID 21399618
Tris(2-diethylaminomethylphenyl)chromium
CID 21399653
3,4-Ditert-butyl-1-propyl-2,7-dihydroazepine
CID 23552359
N,N,2,3-tetramethylhexa-2,4-dien-1-amine
CID 58898608
1-cyclohepta-1,3,6-trien-1-yl-N,N-dimethylmethanamine
CID 68251160
Dibutyl-(cyclohexa-1,5-dien-1-ylmethyl)-propylazanium
CID 70905170
(2E,4E,6E)-4-[(dimethylamino)methyl]-6-ethylidene-N,N,N',N',5-pentamethylhepta-2,4-diene-1,7-diamine
CID 88932150
(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dien-1-amine
CID 89232788

Frequently Asked Questions

What is the IUPAC name of N-[[5-(diethylaminomethyl)-3,3-dimethylcyclohepta-1,4,6-trien-1-yl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[5-(diethylaminomethyl)-3,3-dimethylcyclohepta-1,4,6-trien-1-yl]methyl]-N-ethylethanamine (CID 575161) is N-[[5-(diethylaminomethyl)-3,3-dimethylcyclohepta-1,4,6-trien-1-yl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[5-(diethylaminomethyl)-3,3-dimethylcyclohepta-1,4,6-trien-1-yl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[5-(diethylaminomethyl)-3,3-dimethylcyclohepta-1,4,6-trien-1-yl]methyl]-N-ethylethanamine is CCN(CC)CC1=CC(C)(C)C=C(CN(CC)CC)C=C1.
What is the InChIKey of N-[[5-(diethylaminomethyl)-3,3-dimethylcyclohepta-1,4,6-trien-1-yl]methyl]-N-ethylethanamine?
The InChIKey is CGAFRSAQKKVOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-7-20(8-2)15-17-11-12-18(14-19(5,6)13-17)16-21(9-3)10-4/h11-14H,7-10,15-16H2,1-6H3.
What are the key properties of N-[[5-(diethylaminomethyl)-3,3-dimethylcyclohepta-1,4,6-trien-1-yl]methyl]-N-ethylethanamine?
N-[[5-(diethylaminomethyl)-3,3-dimethylcyclohepta-1,4,6-trien-1-yl]methyl]-N-ethylethanamine has a molecular weight of 290.50 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(diethylaminomethyl)-3,3-dimethylcyclohepta-1,4,6-trien-1-yl]methyl]-N-ethylethanamine is sourced from PubChem (CID 575161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).