6-[(6-methylidene-1-propyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane

C18H29N3 — CID 134506693

IUPAC6-[(6-methylidene-1-propyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
SMILESC=C1C=CC(CN2C3CC2CN(C(C)C)C3)=CN1CCC
InChIInChI=1S/C18H29N3/c1-5-8-19-10-16(7-6-15(19)4)11-21-17-9-18(21)13-20(12-17)14(2)3/h6-7,10,14,17-18H,4-5,8-9,11-13H2,1-3H3
InChIKeyQLQIXWMFLPORNP-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.83
Rot. Bonds5

About 6-[(6-methylidene-1-propyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane

6-[(6-methylidene-1-propyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 134506693) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 6-[(6-methylidene-1-propyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-[(6-methylidene-1-propyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
PubChem CID134506693
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name6-[(6-methylidene-1-propyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
SMILESC=C1C=CC(CN2C3CC2CN(C(C)C)C3)=CN1CCC
InChIInChI=1S/C18H29N3/c1-5-8-19-10-16(7-6-15(19)4)11-21-17-9-18(21)13-20(12-17)14(2)3/h6-7,10,14,17-18H,4-5,8-9,11-13H2,1-3H3
InChIKeyQLQIXWMFLPORNP-UHFFFAOYSA-N
XLogP2.83
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[(6-methylidene-1-propyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane with MolForge

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Related Compounds

1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-N,N-dimethylpiperidin-4-amine
CID 134340884
N-methyl-6-methylidene-4-piperidin-1-yl-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine
CID 139419908
1-[(2E,5Z)-4-methylidenehepta-2,5-dien-2-yl]-4-(4-piperidin-1-ylbutyl)piperazine
CID 142187221
1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine
CID 142300501
ethane;1-methyl-4-[1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperidin-4-yl]piperazine
CID 144607330
N-[(3E)-3-[(Z)-1-ethenylprop-1-enyl]hexa-1,3,5-trien-2-yl]-N,1-dimethyl-2,6-dimethylidenepiperidin-3-amine
CID 156214989
1-Methyl-4-[1-(2-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]piperazine
CID 172768948
1-Methyl-4-[1-(6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]piperazine
CID 173009668
ethane;3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
CID 176937508
3-ethyl-6-[(Z,2E)-2-ethylidenepent-3-enyl]-3,6-diazabicyclo[3.1.1]heptane
CID 142326612
3-ethyl-6-[(E)-2-methylidenepent-3-enyl]-3,6-diazabicyclo[3.1.1]heptane
CID 142326613
1-[2-[(2E,3Z)-3-ethylidene-2-prop-2-enylidenepyrrol-1-yl]ethyl]piperidine
CID 143296745

Frequently Asked Questions

What is the IUPAC name of 6-[(6-methylidene-1-propyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 6-[(6-methylidene-1-propyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane (CID 134506693) is 6-[(6-methylidene-1-propyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-[(6-methylidene-1-propyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 6-[(6-methylidene-1-propyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane is C=C1C=CC(CN2C3CC2CN(C(C)C)C3)=CN1CCC.
What is the InChIKey of 6-[(6-methylidene-1-propyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is QLQIXWMFLPORNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-5-8-19-10-16(7-6-15(19)4)11-21-17-9-18(21)13-20(12-17)14(2)3/h6-7,10,14,17-18H,4-5,8-9,11-13H2,1-3H3.
What are the key properties of 6-[(6-methylidene-1-propyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
6-[(6-methylidene-1-propyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 287.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methylidene-1-propyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 134506693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).