3-butyl-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane

C15H22N2 — CID 67736254

IUPAC3-butyl-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane
SMILESC=C1NC(=C)C2CC1C(=C)N(CCCC)C2=C
InChIInChI=1S/C15H22N2/c1-6-7-8-17-12(4)14-9-15(13(17)5)11(3)16-10(14)2/h14-16H,2-9H2,1H3
InChIKeyDJYXZMSNOUYXNB-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.38
Rot. Bonds3

About 3-butyl-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane

3-butyl-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 67736254) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-butyl-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-butyl-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane
PubChem CID67736254
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name3-butyl-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane
SMILESC=C1NC(=C)C2CC1C(=C)N(CCCC)C2=C
InChIInChI=1S/C15H22N2/c1-6-7-8-17-12(4)14-9-15(13(17)5)11(3)16-10(14)2/h14-16H,2-9H2,1H3
InChIKeyDJYXZMSNOUYXNB-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylidene-3,7-diazabicyclo[3.3.1]nonane
CID 19439009
1-(1-Methylpiperidin-3-yl)ethenamine
CID 58035148
1-(1-Propan-2-ylpiperidin-3-yl)ethenamine
CID 58547319
3-(Cyclohexylmethyl)-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane
CID 68112914
1-(1-Tert-butylpiperidin-3-yl)ethenamine
CID 68321283
2,4,6,8-Tetramethylidene-3,7-diazabicyclo[3.3.1]nonane
CID 69640592
3-(Cyclopropylmethyl)-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane
CID 70208180
N-ethyl-1-piperidin-3-ylethenamine
CID 89054234
3-[1-(3-Methylidenecyclohexyl)ethenyl]-3,7-diazabicyclo[3.3.1]nonane
CID 89149694
1,5-Dimethyl-3-prop-1-en-2-yl-3,7-diazabicyclo[3.3.1]nonane
CID 90766101
1-(1-Piperidin-4-ylethenyl)piperidine
CID 91425595
N-methyl-1-(1-methylpiperidin-3-yl)ethenamine
CID 134555789

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 3-butyl-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane (CID 67736254) is 3-butyl-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-butyl-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 3-butyl-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane is C=C1NC(=C)C2CC1C(=C)N(CCCC)C2=C.
What is the InChIKey of 3-butyl-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is DJYXZMSNOUYXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-6-7-8-17-12(4)14-9-15(13(17)5)11(3)16-10(14)2/h14-16H,2-9H2,1H3.
What are the key properties of 3-butyl-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane?
3-butyl-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 230.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 67736254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).